Debenedetti, Pablo G

Publication with MATCHING institution:

Zerze GH, Stillinger FH, Debenedetti PG (2019) Computational investigation of retro-isomer equilibrium structures:
Intrinsically disordered, foldable, and cyclic peptides. FEBS Letters. [IF=0.871, Cited=0, 31356683].
Zerze GH, Stillinger FH, Debenedetti PG (2019) Effect of heterochiral inversions on the structure of a β-hairpin
peptide. Proteins: Structure, Function and Bioinformatics. [IF=0.897, Cited=0, 30811673].
Palmer JC, Poole PH, Sciortino F, Debenedetti PG (2018) Advances in Computational Studies of the Liquid-Liquid
Transition in Water and Water-Like Models. Chemical Reviews. [IF=11.712, Cited=0, 30152693].
Kozuch DJ, Stillinger FH, Debenedetti PG (2020) Genetic Algorithm Approach for the Optimization of Protein Antifreeze
Activity Using Molecular Simulations. Journal of Chemical Theory and Computation. [IF=1.512, Cited=0, 33201707].
Piaggi PM, Panagiotopoulos AZ, Debenedetti PG, Car R (2021) Phase Equilibrium of Water with Hexagonal and Cubic Ice
Using the SCAN Functional. Journal of Chemical Theory and Computation. [IF=1.512, Cited=0, 33835819].
Zerze GH, Stillinger FH, Debenedetti PG (2020) The Handedness of DNA Assembly around Carbon Nanotubes Is Determined by
the Chirality of DNA. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 32503362].
Zerze GH, Stillinger FH, Debenedetti PG (2021) Thermodynamics of DNA Hybridization from Atomistic Simulations. Journal
of Physical Chemistry B. [IF=0.893, Cited=0, 33434025].
Kozuch DJ, Stillinger FH, Debenedetti PG (2021) Effects of Trehalose on Lipid Membranes under Rapid Cooling using All-
Atom and Coarse-Grained Molecular Simulations. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 33978410].
Zerze GH, Piaggi PM, Debenedetti PG (2021) A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded
States. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 34890201].
Petsev ND, Nikoubashman A, Latinwo F, ..., Debenedetti PG (2022) Crystal Prediction via Genetic Algorithms in a Model
Chiral System. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 36162405].
Debenedetti PG (2023) Autobiography of Pablo G. Debenedetti. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 37766641].
Cerdeiriña CA, Debenedetti PG (2018) Water's Thermal Pressure Drives the Temperature Dependence of Hydrophobic
Hydration. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 29227672].
Uralcan B, Kim SB, Markwalter CE, ..., Debenedetti PG (2018) A Computational Study of the Ionic Liquid-Induced
Destabilization of the Miniprotein Trp-Cage. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 29617131].
Gartner TE, Hunter KM, Lambros E, ..., Paesani F (2022) Anomalies and Local Structure of Liquid Water from Boiling to
the Supercooled Regime as Predicted by the Many-Body MB-pol Model. Journal of Physical Chemistry Letters. [IF=1.158,
Cited=0, 35436129].
Bozym DJ, Uralcan B, Limmer DT, ..., Aksay IA (2015) Anomalous Capacitance Maximum of the Glassy Carbon-Ionic Liquid
Interface through Dilution with Organic Solvents. Journal of Physical Chemistry Letters. [IF=1.158, Cited=0, 26266747].
Uralcan B, Aksay IA, Debenedetti PG, Limmer DT (2016) Concentration Fluctuations and Capacitive Response in Dense Ionic
Solutions. Journal of Physical Chemistry Letters. [IF=1.158, Cited=0, 27259040].
Kim SB, Sparano EM, Singh RS, Debenedetti PG (2017) Microscopic Origin of Hysteresis in Water Sorption on Protein
Matrices. Journal of Physical Chemistry Letters. [IF=1.158, Cited=0, 28234480].
Uralcan B, Debenedetti PG (2019) Computational Investigation of the Effect of Pressure on Protein Stability. Journal of
Physical Chemistry Letters. [IF=1.158, Cited=0, 30939023].
Altabet YE, Singh RS, Stillinger FH, Debenedetti PG (2017) Thermodynamic Anomalies in Stretched Water. Langmuir.
[IF=0.927, Cited=0, 28885852].
Kozuch DJ, Ristroph K, Prud'homme RK, Debenedetti PG (2020) Insights into Hydrophobic Ion Pairing from Molecular
Simulation and Experiment. ACS Nano. [IF=2.423, Cited=0, 32352749].
Markwalter CE, Uralcan B, Pelczer I, ..., Debenedetti PG (2020) Stability of Protein Structure during Nanocarrier
Encapsulation: Insights on Solvent Effects from Simulations and Spectroscopic Analysis. ACS Nano. [IF=2.423, Cited=0, 33211493].
O'Connor TF, Debenedetti PG, Carbeck JD (2004) Simultaneous determination of structural and thermodynamic effects of
carbohydrate solutes on the thermal stability of ribonuclease A. Journal of the American Chemical Society. [IF=2.573,
Cited=0, 15382905].
Stillinger FH, Debenedetti PG (2005) Alternative view of self-diffusion and shear viscosity. Journal of Physical
Chemistry B. [IF=0.893, Cited=0, 16851741].
Lynden-Bell RM, Debenedetti PG (2005) Computational investigation of order, structure, and dynamics in modified water
models. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 16851733].
Shell MS, Debenedetti PG, Stillinger FH (2005) Novel computational probes of diffusive motion. Journal of Physical
Chemistry B. [IF=0.893, Cited=0, 16853766].
Giovambattista N, Debenedetti PG, Rossky PJ (2007) Effect of surface polarity on water contact angle and interfacial
hydration structure. Journal of Physical Chemistry B. [IF=0.893, Cited=114, 17658789].
Patel BA, Debenedetti PG, Stillinger FH (2007) Method for efficient computation of the density of states in water-
explicit biopolymer simulations on a lattice. Journal of Physical Chemistry A. [IF=0.841, Cited=0, 17990863].
Sarupria S, Debenedetti PG (2011) Molecular dynamics study of carbon dioxide hydrate dissociation. Journal of Physical
Chemistry A. [IF=0.841, Cited=0, 21428428].
Liu Y, Panagiotopoulos AZ, Debenedetti PG (2011) Monte Carlo simulations of high-pressure phase equilibria of CO2-H2O
mixtures. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 21528884].
Matysiak S, Debenedetti PG, Rossky PJ (2011) Dissecting the energetics of hydrophobic hydration of polypeptides. Journal
of Physical Chemistry B. [IF=0.893, Cited=12, 22035038].
Debenedetti PG, Glotzer SC (2011) Tribute to H. Eugene Stanley. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 22129126].
Matysiak S, Debenedetti PG, Rossky PJ (2012) Role of hydrophobic hydration in protein stability: a 3D water-explicit
protein model exhibiting cold and heat denaturation. Journal of Physical Chemistry B. [IF=0.893, Cited=12, 22725973].
Romero-Vargas Castrillón S, Matysiak S, Stillinger FH, ..., Debenedetti PG (2012) Phase behavior of a lattice
hydrophobic oligomer in explicit water. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 22823886].
Romero-Vargas Castrillón S, Matysiak S, Stillinger FH, ..., Debenedetti PG (2012) Thermal stability of hydrophobic
helical oligomers: a lattice simulation study in explicit water. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 22877080].
Sharma S, Debenedetti PG (2012) Free energy barriers to evaporation of water in hydrophobic confinement. Journal of
Physical Chemistry B. [IF=0.893, Cited=0, 23075275].
Ricci F, Stillinger FH, Debenedetti PG (2013) Creation and persistence of chiral asymmetry in a microscopically
reversible molecular model. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 23252709].
Daly KB, Benziger JB, Debenedetti PG, Panagiotopoulos AZ (2013) Molecular dynamics simulations of water sorption in a
perfluorosulfonic acid membrane. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 24053430].
Hatch HW, Stillinger FH, Debenedetti PG (2014) Computational study of the stability of the miniprotein trp-cage, the GB1
β-hairpin, and the AK16 peptide, under negative pressure. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 24559466].
Daly KB, Benziger JB, Panagiotopoulos AZ, Debenedetti PG (2014) Molecular dynamics simulations of water permeation
across Nafion membrane interfaces. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 24971638].
Vella JR, Stillinger FH, Panagiotopoulos AZ, Debenedetti PG (2014) A Comparison of the Predictive Capabilities of the
Embedded-Atom Method and Modified Embedded-Atom Method Potentials for Lithium. Journal of Physical Chemistry B.
[IF=0.893, Cited=0, 25192474].
Daly KB, Panagiotopoulos AZ, Debenedetti PG, Benziger JB (2014) Viscosity of Nafion oligomers as a function of hydration
and counterion type: a molecular dynamics study. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 25390642].
Kim SB, Palmer JC, Debenedetti PG (2015) A computational study of the effect of matrix structural order on water
sorption by Trp-cage miniproteins. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 25583103].
Romero-Vargas Castrillón S, Giovambattista N, Aksay IA, Debenedetti PG (2009) Effect of surface polarity on the
structure and dynamics of water in nanoscale confinement. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 19143545].
Ferguson AL, Debenedetti PG, Panagiotopoulos AZ (2009) Solubility and molecular conformations of n-alkane chains in
water. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 19361179].
Giovambattista N, Rossky PJ, Debenedetti PG (2009) Effect of temperature on the structure and phase behavior of water
confined by hydrophobic, hydrophilic, and heterogeneous surfaces. Journal of Physical Chemistry B. [IF=0.893, Cited=63, 19435300].
Romero-Vargas Castrillón S, Giovambattista N, Aksay IA, Debenedetti PG (2009) Evolution from surface-influenced to bulk-
like dynamics in nanoscopically confined water. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 19449830].
Palmer JC, Debenedetti PG (2012) Computer Simulation of Water Sorption on Flexible Protein Crystals. Journal of Physical
Chemistry Letters. [IF=1.158, Cited=0, 26295896].
Sarupria S, Debenedetti PG (2012) Homogeneous Nucleation of Methane Hydrate in Microsecond Molecular Dynamics
Simulations. Journal of Physical Chemistry Letters. [IF=1.158, Cited=0, 26292230].
Debenedetti PG, Stillinger FH (2001) Supercooled liquids and the glass transition. Nature. [IF=11.591, Cited=0, 11258381].
Palmer JC, Martelli F, Liu Y, ..., Debenedetti PG (2014) Metastable liquid-liquid transition in a molecular model of
water. Nature. [IF=11.591, Cited=0, 24943954].
Palmer JC, Martelli F, Liu Y, ..., Debenedetti PG (2016) Palmer et al. reply. Nature. [IF=11.591, Cited=0, 26961661].
Gartner TE, Torquato S, Car R, Debenedetti PG (2021) Manifestations of metastable criticality in the long-range
structure of model water glasses. Nature Communications. [IF=3.268, Cited=0, 34099681].
Kim SB, Singh RS, Paul PKC, Debenedetti PG (2017) Effects of disulfide bridges and backbone connectivity on water
sorption by protein matrices. Scientific Reports. [IF=1.312, Cited=0, 28801577].
Kim SB, Gupta DR, Debenedetti PG (2016) Computational investigation of dynamical transitions in Trp-cage miniprotein
powders. Scientific Reports. [IF=1.312, Cited=0, 27151767].
Haji-Akbari A, DeFever RS, Sarupria S, Debenedetti PG (2014) Suppression of sub-surface freezing in free-standing thin
films of a coarse-grained model of water. Physical Chemistry Chemical Physics. [IF=0.906, Cited=0, 25354427].
Gianetti MM, Haji-Akbari A, Paula Longinotti M, Debenedetti PG (2016) Computational investigation of structure, dynamics
and nucleation kinetics of a family of modified Stillinger-Weber model fluids in bulk and free-standing thin films.
Physical Chemistry Chemical Physics. [IF=0.906, Cited=0, 26778494].
Singh RS, Palmer JC, Pudney PDA, ..., Tiemessen D (2017) Molecular modeling and structural characterization of a high
glycine-tyrosine hair keratin associated protein. Physical Chemistry Chemical Physics. [IF=0.906, Cited=0, 28289743].
Piaggi PM, Selloni A, Panagiotopoulos AZ, ..., Debenedetti PG (2024) A first-principles machine-learning force field for
heterogeneous ice nucleation on microcline feldspar. Faraday Discussions. [IF=0.75, Cited=0, 37791889].
Lee SL, Debenedetti PG, Errington JR (2005) A computational study of hydration, solution structure, and dynamics in
dilute carbohydrate solutions. Journal of Chemical Physics. [IF=1.184, Cited=0, 15945756].
Chatterjee S, Ashbaugh HS, Debenedetti PG (2005) Effects of nonpolar solutes on the thermodynamic response functions of
aqueous mixtures. Journal of Chemical Physics. [IF=1.184, Cited=0, 16268708].
Chakravarty C, Debenedetti PG, Stillinger FH (2005) Generating inherent structures of liquids: comparison of local
minimization algorithms. Journal of Chemical Physics. [IF=1.184, Cited=0, 16351322].
Chatterjee S, Debenedetti PG (2006) Fluid-phase behavior of binary mixtures in which one component can have two critical
points. Journal of Chemical Physics. [IF=1.184, Cited=0, 16674238].
Lombardo TG, Debenedetti PG, Stillinger FH (2006) Computational probes of molecular motion in the Lewis-Wahnstrom model
for ortho-terphenyl. Journal of Chemical Physics. [IF=1.184, Cited=0, 17100454].
Stillinger FH, Debenedetti PG, Chatterjee S (2006) Scaled particle theory for hard sphere pairs. I. Mathematical
structure. Journal of Chemical Physics. [IF=1.184, Cited=0, 17144712].
Chatterjee S, Debenedetti PG, Stillinger FH (2006) Scaled particle theory for hard sphere pairs. II. Numerical analysis.
Journal of Chemical Physics. [IF=1.184, Cited=0, 17144713].
Chakravarty C, Debenedetti PG, Stillinger FH (2007) Lindemann measures for the solid-liquid phase transition. Journal of
Chemical Physics. [IF=1.184, Cited=0, 17552779].
Chatterjee S, Debenedetti PG, Stillinger FH, Lynden-Bell RM (2008) A computational investigation of thermodynamics,
structure, dynamics and solvation behavior in modified water models. Journal of Chemical Physics. [IF=1.184, Cited=0, 18376947].
Patel BA, Debenedetti PG, Stillinger FH, Rossky PJ (2008) The effect of sequence on the conformational stability of a
model heteropolymer in explicit water. Journal of Chemical Physics. [IF=1.184, Cited=5, 18465941].
Liu Y, Panagiotopoulos AZ, Debenedetti PG (2010) Finite-size scaling study of the vapor-liquid critical properties of
confined fluids: Crossover from three dimensions to two dimensions. Journal of Chemical Physics. [IF=1.184, Cited=0, 20405985].
Hatch HW, Stillinger FH, Debenedetti PG (2010) Chiral symmetry breaking in a microscopic model with asymmetric
autocatalysis and inhibition. Journal of Chemical Physics. [IF=1.184, Cited=0, 21171686].
Xu L, Giovambattista N, Buldyrev SV, ..., Stanley HE (2011) Waterlike glass polyamorphism in a monoatomic isotropic
Jagla model. Journal of Chemical Physics. [IF=1.184, Cited=0, 21322705].
Shi Z, Debenedetti PG, Stillinger FH (2011) Properties of model atomic free-standing thin films. Journal of Chemical
Physics. [IF=1.184, Cited=0, 21428649].
Ferguson AL, Panagiotopoulos AZ, Debenedetti PG, Kevrekidis IG (2011) Integrating diffusion maps with umbrella sampling:
application to alanine dipeptide. Journal of Chemical Physics. [IF=1.184, Cited=0, 21476776].
Shi Z, Debenedetti PG, Stillinger FH, Ginart P (2011) Structure, dynamics, and thermodynamics of a family of potentials
with tunable softness. Journal of Chemical Physics. [IF=1.184, Cited=0, 21895205].
Su Z, Buldyrev SV, Debenedetti PG, ..., Eugene Stanley H (2012) Modeling simple amphiphilic solutes in a Jagla solvent.
Journal of Chemical Physics. [IF=1.184, Cited=13, 22299895].
Hatch HW, Debenedetti PG (2012) Molecular modeling of mechanical stresses on proteins in glassy matrices: formalism.
Journal of Chemical Physics. [IF=1.184, Cited=0, 22830732].
Ferguson AL, Giovambattista N, Rossky PJ, ..., Debenedetti PG (2012) A computational investigation of the phase behavior
and capillary sublimation of water confined between nanoscale hydrophobic plates. Journal of Chemical Physics.
[IF=1.184, Cited=17, 23061849].
Liu Y, Palmer JC, Panagiotopoulos AZ, Debenedetti PG (2012) Liquid-liquid transition in ST2 water. Journal of Chemical
Physics. [IF=1.184, Cited=0, 23231249].
Shi Z, Debenedetti PG, Stillinger FH (2013) Relaxation processes in liquids: variations on a theme by Stokes and
Einstein. Journal of Chemical Physics. [IF=1.184, Cited=0, 23556777].
Dowdle JR, Buldyrev SV, Stanley HE, ..., Rossky PJ (2013) Temperature and length scale dependence of solvophobic
solvation in a single-site water-like liquid. Journal of Chemical Physics. [IF=1.184, Cited=7, 23425478].
Ricci F, Stillinger FH, Debenedetti PG (2013) A computational investigation of attrition-enhanced chiral symmetry
breaking in conglomerate crystals. Journal of Chemical Physics. [IF=1.184, Cited=0, 24206312].
Holten V, Palmer JC, Poole PH, ..., Anisimov MA (2014) Two-state thermodynamics of the ST2 model for supercooled water.
Journal of Chemical Physics. [IF=1.184, Cited=0, 24628177].
Haji-Akbari A, Debenedetti PG (2014) The effect of substrate on thermodynamic and kinetic anisotropies in atomic thin
films. Journal of Chemical Physics. [IF=1.184, Cited=0, 25028026].
Altabet YE, Debenedetti PG (2014) The role of material flexibility on the drying transition of water between hydrophobic
objects: a thermodynamic analysis. Journal of Chemical Physics. [IF=1.184, Cited=0, 25399196].
Kim SB, Dsilva CJ, Kevrekidis IG, Debenedetti PG (2015) Systematic characterization of protein folding pathways using
diffusion maps: application to Trp-cage miniprotein. Journal of Chemical Physics. [IF=1.184, Cited=0, 25725756].
Haji-Akbari A, Debenedetti PG (2015) Thermodynamic and kinetic anisotropies in octane thin films. Journal of Chemical
Physics. [IF=1.184, Cited=0, 26646882].
Singh RS, Biddle JW, Debenedetti PG, Anisimov MA (2016) Two-state thermodynamics and the possibility of a liquid-liquid
phase transition in supercooled TIP4P/2005 water. Journal of Chemical Physics. [IF=1.184, Cited=0, 27083735].
Cerdeiriña CA, Debenedetti PG (2016) Water anomalous thermodynamics, attraction, repulsion, and hydrophobic hydration.
Journal of Chemical Physics. [IF=1.184, Cited=0, 27131551].
Altabet YE, Stillinger FH, Debenedetti PG (2016) A cavitation transition in the energy landscape of simple cohesive
liquids and glasses. Journal of Chemical Physics. [IF=1.184, Cited=0, 28799356].
Latinwo F, Stillinger FH, Debenedetti PG (2016) Molecular model for chirality phenomena. Journal of Chemical Physics.
[IF=1.184, Cited=0, 27782490].
Espinosa JR, Young JM, Jiang H, ..., Panagiotopoulos AZ (2016) On the calculation of solubilities via direct coexistence
simulations: Investigation of NaCl aqueous solutions and Lennard-Jones binary mixtures. Journal of Chemical Physics.
[IF=1.184, Cited=0, 27782462].
Biddle JW, Singh RS, Sparano EM, ..., Caupin F (2017) Two-structure thermodynamics for the TIP4P/2005 model of water
covering supercooled and deeply stretched regions. Journal of Chemical Physics. [IF=1.184, Cited=0, 28109212].
Haji-Akbari A, Debenedetti PG (2017) Perspective: Surface freezing in water: A nexus of experiments and simulations.
Journal of Chemical Physics. [IF=1.184, Cited=0, 28810776].
Altabet YE, Debenedetti PG (2017) Communication: Relationship between local structure and the stability of water in
hydrophobic confinement. Journal of Chemical Physics. [IF=1.184, Cited=0, 29289133].
Jiang H, Haji-Akbari A, Debenedetti PG, Panagiotopoulos AZ (2018) Forward flux sampling calculation of homogeneous
nucleation rates from aqueous NaCl solutions. Journal of Chemical Physics. [IF=1.184, Cited=0, 29390820].
Altabet YE, Fenley AL, Stillinger FH, Debenedetti PG (2018) Cavitation transition in the energy landscape: Distinct
tensile yielding behavior in strongly and weakly attractive systems. Journal of Chemical Physics. [IF=1.184, Cited=0, 29566513].
Biddle JW, Singh RS, Sparano EM, ..., Caupin F (2018) Erratum: "Two-structure thermodynamics for the TIP4P/2005 model of
water covering supercooled and deeply stretched regions" [J. Chem. Phys. 146, 034502 (2017)]. Journal of Chemical
Physics. [IF=1.184, Cited=0, 29448788].
Palmer JC, Haji-Akbari A, Singh RS, ..., Debenedetti PG (2018) Comment on "The putative liquid-liquid transition is a
liquid-solid transition in atomistic models of water" [I and II: J. Chem. Phys. 135, 134503 (2011); J. Chem. Phys. 138,
214504 (2013)]. Journal of Chemical Physics. [IF=1.184, Cited=0, 29626877].
Jiang H, Debenedetti PG, Panagiotopoulos AZ (2018) Communication: Nucleation rates of supersaturated aqueous NaCl using
a polarizable force field. Journal of Chemical Physics. [IF=1.184, Cited=0, 30316274].
Uralcan B, Latinwo F, Debenedetti PG, Anisimov MA (2019) Pattern of property extrema in supercooled and stretched water
models and a new correlation for predicting the stability limit of the liquid state. Journal of Chemical Physics.
[IF=1.184, Cited=0, 30769971].
Jiang H, Debenedetti PG, Panagiotopoulos AZ (2019) Nucleation in aqueous NaCl solutions shifts from 1-step to 2-step
mechanism on crossing the spinodal. Journal of Chemical Physics. [IF=1.184, Cited=0, 30927905].
Cerdeiriña CA, Troncoso J, González-Salgado D, ..., Stanley HE (2019) Water's two-critical-point scenario in the Ising
paradigm. Journal of Chemical Physics. [IF=1.184, Cited=0, 31255058].
Singh RS, Palmer JC, Panagiotopoulos AZ, Debenedetti PG (2019) Thermodynamic analysis of the stability of planar
interfaces between coexisting phases and its application to supercooled water. Journal of Chemical Physics. [IF=1.184,
Cited=0, 31202225].
Kozuch DJ, Stillinger FH, Debenedetti PG (2019) Low temperature protein refolding suggested by molecular simulation.
Journal of Chemical Physics. [IF=1.184, Cited=0, 31731860].
Petsev ND, Stillinger FH, Debenedetti PG (2021) Effect of configuration-dependent multi-body forces on interconversion
kinetics of a chiral tetramer model. Journal of Chemical Physics. [IF=1.184, Cited=0, 34470355].
Goswami Y, Vasisht VV, Frenkel D, ..., Sastry S (2021) Thermodynamics and kinetics of crystallization in deeply
supercooled Stillinger-Weber silicon. Journal of Chemical Physics. [IF=1.184, Cited=0, 34800966].
Uralcan B, Longo TJ, Anisimov MA, ..., Debenedetti PG (2021) Interconversion-controlled liquid-liquid phase separation
in a molecular chiral model. Journal of Chemical Physics. [IF=1.184, Cited=0, 34852466].
Weis J, Sciortino F, Panagiotopoulos AZ, Debenedetti PG (2022) Liquid-liquid criticality in the WAIL water model.
Journal of Chemical Physics. [IF=1.184, Cited=0, 35840388].
Wang Y, Stillinger FH, Debenedetti PG (2022) Fluid-fluid phase transitions in a chiral molecular model. Journal of
Chemical Physics. [IF=1.184, Cited=0, 36049994].
Piaggi PM, Gartner TE, Car R, Debenedetti PG (2023) Melting curves of ice polymorphs in the vicinity of the liquid-
liquid critical point. Journal of Chemical Physics. [IF=1.184, Cited=0, 37531247].
Piaggi PM, Car R, Stillinger FH, Debenedetti PG (2023) Critical behavior in a chiral molecular model. Journal of
Chemical Physics. [IF=1.184, Cited=0, 37712791].
Sciortino F, Gartner TE, Debenedetti PG (2024) Free-energy landscape and spinodals for the liquid-liquid transition of
the TIP4P/2005 and TIP4P/Ice models of water. Journal of Chemical Physics. [IF=1.184, Cited=0, 38456528].
Debenedetti PG, Kim YY, Meldrum FC, Tanaka H (2024) Special Topic Preface: Nucleation-Current understanding approaching
150 years after Gibbs. Journal of Chemical Physics. [IF=1.184, Cited=0, 38465675].
Giovambattista N, Lopez CF, Rossky PJ, Debenedetti PG (2008) Hydrophobicity of protein surfaces: Separating geometry
from chemistry. Proceedings of the National Academy of Sciences of the United States of America. [IF=2.765, Cited=122, 18268339].
Buldyrev SV, Kumar P, Debenedetti PG, ..., Stanley HE (2007) Water-like solvation thermodynamics in a spherically
symmetric solvent model with two characteristic lengths. Proceedings of the National Academy of Sciences of the United
States of America. [IF=2.765, Cited=46, 18077365].
Giovambattista N, Debenedetti PG, Rossky PJ (2009) Enhanced surface hydrophobicity by coupling of surface polarity and
topography. Proceedings of the National Academy of Sciences of the United States of America. [IF=2.765, Cited=36, 19706474].
Sharma S, Debenedetti PG (2012) Evaporation rate of water in hydrophobic confinement. Proceedings of the National
Academy of Sciences of the United States of America. [IF=2.765, Cited=0, 22392972].
Remsing RC, Xi E, Vembanur S, ..., Patel AJ (2015) Pathways to dewetting in hydrophobic confinement. Proceedings of the
National Academy of Sciences of the United States of America. [IF=2.765, Cited=0, 26100866].
Haji-Akbari A, Debenedetti PG (2015) Direct calculation of ice homogeneous nucleation rate for a molecular model of
water. Proceedings of the National Academy of Sciences of the United States of America. [IF=2.765, Cited=0, 26240318].
Kim SB, Palmer JC, Debenedetti PG (2016) Computational investigation of cold denaturation in the Trp-cage miniprotein.
Proceedings of the National Academy of Sciences of the United States of America. [IF=2.765, Cited=0, 27457961].
Altabet YE, Haji-Akbari A, Debenedetti PG (2017) Effect of material flexibility on the thermodynamics and kinetics of
hydrophobically induced evaporation of water. Proceedings of the National Academy of Sciences of the United States of
America. [IF=2.765, Cited=0, 28289194].
Haji-Akbari A, Debenedetti PG (2017) Computational investigation of surface freezing in a molecular model of water.
Proceedings of the National Academy of Sciences of the United States of America. [IF=2.765, Cited=0, 28292905].
Debenedetti PG, Klein ML (2017) Chemical physics of water. Proceedings of the National Academy of Sciences of the United
States of America. [IF=2.765, Cited=0, 29229822].
Kozuch DJ, Stillinger FH, Debenedetti PG (2018) Combined molecular dynamics and neural network method for predicting
protein antifreeze activity. Proceedings of the National Academy of Sciences of the United States of America. [IF=2.765,
Cited=0, 30530650].
Gartner TE, Zhang L, Piaggi PM, ..., Debenedetti PG (2020) Signatures of a liquid-liquid transition in an ab initio deep
neural network model for water. Proceedings of the National Academy of Sciences of the United States of America.
[IF=2.765, Cited=0, 33008883].
Piaggi PM, Weis J, Panagiotopoulos AZ, ..., Car R (2022) Homogeneous ice nucleation in an ab initio machine-learning
model of water. Proceedings of the National Academy of Sciences of the United States of America. [IF=2.765, Cited=0, 35939708].
Longo TJ, Shumovskyi NA, Uralcan B, ..., Debenedetti PG (2022) Formation of dissipative structures in microscopic models
of mixtures with species interconversion. Proceedings of the National Academy of Sciences of the United States of
America. [IF=2.765, Cited=0, 36580588].
Anisimov MA, Debenedetti PG, Greer SC, Moldover MR (2024) Anneke Levelt Sengers: An international authority in the
thermodynamics of fluids and a passionate advocate for women in science. Proceedings of the National Academy of Sciences
of the United States of America. [IF=2.765, Cited=0, 39167604].
Gartner TE, Piaggi PM, Car R, ..., Debenedetti PG (2022) Liquid-Liquid Transition in Water from First Principles.
Physical Review Letters. [IF=2.288, Cited=0, 36608224].
Debenedetti PG, Sarupria S (2009) Chemistry. Hydrate molecular ballet. Science. [IF=7.729, Cited=0, 19965416].
Debenedetti PG, Sciortino F, Zerze GH (2020) Second critical point in two realistic models of water. Science. [IF=7.729,
Cited=0, 32675369].
Giovambattista N, Rossky PJ, Rossky PJ, ..., Debenedetti PG (2012) Computational studies of pressure, temperature, and
surface effects on the structure and thermodynamics of confined water. Annual Review of Physical Chemistry. [IF=3.733,
Cited=37, 22475337].

Publication with MISSING institution:

Winters MA, Frankel DZ, Debenedetti PG, ..., Przybycien TM (1999) Protein purification with vapor-phase carbon dioxide.
Biotechnology and Bioengineering. [IF=0.932, Cited=0, 10099536].
Shell MS, Debenedetti PG, Panagiotopoulos AZ (2006) Computational characterization of the sequence landscape in simple
protein alphabets. Proteins: Structure, Function and Bioinformatics. [IF=0.897, Cited=0, 16284961].
O'Connor TF, Debenedetti PG, Carbeck JD (2006) Stability of proteins in the presence of carbohydrates; experiments and
modeling using scaled particle theory. Biophysical Chemistry. [IF=0.78, Cited=0, 17234323].
Ferguson AL, Zhang S, Dikiy I, ..., James Link A (2010) An experimental and computational investigation of spontaneous
lasso formation in microcin J25. Biophysical Journal. [IF=0.842, Cited=0, 21044604].
Stillinger FH, Debenedetti PG (2003) Phase transitions, Kauzmann curves, and inverse melting. Biophysical Chemistry.
[IF=0.78, Cited=0, 14499893].
Zerze GH, Khan MN, Stillinger FH, Debenedetti PG (2018) Computational Investigation of the Effect of Backbone Chiral
Inversions on Polypeptide Structure. Journal of Physical Chemistry B. [IF=0.893, Cited=0, 29793336].
Tom JW, Debenedetti PG (1991) Formation of bioerodible polymeric microspheres and microparticles by rapid expansion of
supercritical solutions. Biotechnology Progress. [IF=0.785, Cited=0, 1369363].
Connolly M, Debenedetti PG, Tung HH (1996) Freeze crystallization of imipenem. Journal of Pharmaceutical Sciences.
[IF=1.035, Cited=0, 8683444].
Winters MA, Knutson BL, Debenedetti PG, ..., Prestrelski SJ (1996) Precipitation of proteins in supercritical carbon
dioxide. Journal of Pharmaceutical Sciences. [IF=1.035, Cited=0, 8773954].
Winters MA, Debenedetti PG, Carey J, ..., Przybycien TM (1997) Long-term and high-temperature storage of
supercritically-processed microparticulate protein powders. Pharmaceutical Research. [IF=0.917, Cited=0, 9358549].
Errington JR, Debenedetti PG (2001) Relationship between structural order and the anomalies of liquid water. Nature.
[IF=11.591, Cited=0, 11201735].
Debenedetti PG (2006) Thermodynamics: when a phase is born. Nature. [IF=11.591, Cited=0, 16688164].
Sharma S, Kumar SK, Buldyrev SV, ..., Stanley HE (2013) A coarse-grained protein model in a water-like solvent.
Scientific Reports. [IF=1.312, Cited=5, 23674146].
Lombardo TG, Giovambattista N, Debenedetti PG (2009) Structural and mechanical properties of glassy water in nanoscale
confinement. None. [IF=None, Cited=0, 19227365].
Cho TY, Byrne N, Moore DJ, ..., Debenedetti PG (2009) Structure-energy relations in hen egg white lysozyme observed
during refolding from a quenched unfolded state. Chemical Communications. [IF=0.902, Cited=0, 19597619].
Lynden-Bell RM, Giovambattista N, Debenedetti PG, ..., Rossky PJ (2010) Hydrogen bond strength and network structure
effects on hydration of non-polar molecules. Physical Chemistry Chemical Physics. [IF=0.906, Cited=10, 21152590].
Stirnemann G, Castrillón SRV, Hynes JT, ..., Laage D (2011) Non-monotonic dependence of water reorientation dynamics on
surface hydrophilicity: competing effects of the hydration structure and hydrogen-bond strength. Physical Chemistry
Chemical Physics. [IF=0.906, Cited=18, 21897944].
Palmer JC, Car R, Debenedetti PG (2013) The liquid-liquid transition in supercooled ST2 water: a comparison between
umbrella sampling and well-tempered metadynamics. None. [IF=None, Cited=0, 24640486].
Greasley PJ, Fanelli F, Scheer A, ..., Cotecchia S (2001) Mutational and computational analysis of the
alpha(1b)-adrenergic receptor. Involvement of basic and hydrophobic residues in receptor activation and G protein
coupling. Journal of Biological Chemistry. [IF=1.122, Cited=45, 11585821].
Shell MS, Debenedetti PG, Panagiotopoulos AZ (2002) Molecular structural order and anomalies in liquid silica. None.
[IF=None, Cited=0, 12241346].
Shell MS, Debenedetti PG, Panagiotopoulos AZ (2002) Generalization of the Wang-Landau method for off-lattice
simulations. None. [IF=None, Cited=0, 12513633].
La Nave E, Sciortino F, Tartaglia P, ..., Debenedetti PG (2003) Test of nonequilibrium thermodynamics in glassy systems:
the soft-sphere case. None. [IF=None, Cited=0, 14524813].
Shell MS, Debenedetti PG (2004) Thermodynamics and the glass transition in model energy landscapes. None. [IF=None,
Cited=0, 15244803].
Giovambattista N, Debenedetti PG, Sciortino F, Stanley HE (2005) Structural order in glassy water. None. [IF=None,
Cited=0, 16089741].
Giovambattista N, Rossky PJ, Debenedetti PG (2006) Effect of pressure on the phase behavior and structure of water
confined between nanoscale hydrophobic and hydrophilic plates. None. [IF=None, Cited=90, 16711818].
Yan Z, Buldyrev SV, Giovambattista N, ..., Stanley HE (2006) Family of tunable spherically symmetric potentials that
span the range from hard spheres to waterlike behavior. None. [IF=None, Cited=0, 16802925].
Yan Z, Buldyrev SV, Kumar P, ..., Stanley HE (2007) Structure of the first- and second-neighbor shells of simulated
water: quantitative relation to translational and orientational order. None. [IF=None, Cited=0, 18233643].
Giovambattista N, Rossky PJ, Debenedetti PG (2009) Phase transitions induced by nanoconfinement in liquid water.
Physical Review Letters. [IF=2.288, Cited=70, 19257497].
Errington JR, Debenedetti PG, Torquato S (2002) Cooperative origin of low-density domains in liquid water. Physical
Review Letters. [IF=2.288, Cited=0, 12443425].
Shell MS, Debenedetti PG, Panagiotopoulos AZ (2004) Saddles in the energy landscape: extensivity and thermodynamic
formalism. Physical Review Letters. [IF=2.288, Cited=0, 14753888].
Patel BA, Debenedetti PG, Stillinger FH, Rossky PJ (2007) A water-explicit lattice model of heat-, cold-, and pressure-
induced protein unfolding. Biophysical Journal. [IF=0.842, Cited=12, 17766342].

Debenedetti, Pablo G

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