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Extreme biophysics: Enzymes under pressure

Journal of computational chemistry, 2017-06, Vol.38 (15), p.1174-1182

2017

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Effects of Pressure and Temperature on the Atomic Fluctuations of Dihydrofolate Reductase from a Psychropiezophile and a Mesophile

International journal of molecular sciences, 2019-03, Vol.20 (6), p.1452

2019

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Molecular Simulation of the DMPC-Cholesterol Phase Diagram

The journal of physical chemistry. B, 2010-08, Vol.114 (32), p.10451-10461

2010

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Understanding the Phase Behavior of Coarse-Grained Model Lipid Bilayers through Computational Calorimetry

The journal of physical chemistry. B, 2012-02, Vol.116 (5), p.1551-1569

2012

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Interplay of local hydrogen-bonding and long-ranged dipolar forces in simulations of confined water

Proceedings of the National Academy of Sciences - PNAS, 2008-12, Vol.105 (49), p.19136-19141

2008

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Molecular Simulation of the Effect of Cholesterol on Lipid-Mediated Protein-Protein Interactions

Biophysical journal, 2010-12, Vol.99 (11), p.3629-3638

2010

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Attraction between like-charged walls: Short-ranged simulations using local molecular field theory

Physical review letters, 2006-09, Vol.97 (9), p.097801-097801, Article 097801

2006

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Local Molecular Field Theory for Nonequilibrium Systems

The journal of physical chemistry. B, 2020-07, Vol.124 (27), p.5676-5684

2020

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Multipole moments of water molecules and the aqueous solvation of monovalent ions

Journal of molecular liquids, 2017-02, Vol.228 (C), p.54-62

2017

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Quasiharmonic Analysis of the Energy Landscapes of Dihydrofolate Reductase from Piezophiles and Mesophiles

The journal of physical chemistry. B, 2018-05, Vol.122 (21), p.5527-5533

2018

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Quasiharmonic analysis of protein energy landscapes from pressure-temperature molecular dynamics simulations

The Journal of chemical physics, 2017-09, Vol.147 (12), p.125103-125103

2017

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Local molecular field theory for the treatment of electrostatics

Journal of physics. Condensed matter, 2008-12, Vol.20 (49), p.494206-494206 (11)

2008

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Adaptations for pressure and temperature effects on loop motion in Escherichia coli and Moritella profunda dihydrofolate reductase

High pressure research, 2019-04, Vol.39 (2), p.225-237

2019

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Deconstructing Classical Water Models at Interfaces and in Bulk

Journal of statistical physics, 2011-10, Vol.145 (2), p.313-334

2011

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Molecular Monte Carlo Simulations Using Graphics Processing Units: To Waste Recycle or Not?

Journal of chemical theory and computation, 2011-10, Vol.7 (10), p.3208-3222

2011

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Accurate thermodynamics for short-ranged truncations of Coulomb interactions in site-site molecular models

The Journal of chemical physics, 2009-12, Vol.131 (24), p.244108-244108-8

2009

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On the Equivalence of Schemes for Simulating Bilayers at Constant Surface Tension

Journal of chemical theory and computation, 2012-02, Vol.8 (2), p.404-417

2012

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On the efficient and accurate short-ranged simulations of uniform polar molecular liquids

Molecular physics, 2011-04, Vol.109 (7-10), p.1195-1211

2011

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Alcohol solubility in a lipid bilayer: Efficient grand-canonical simulation of an interfacially active molecule

The Journal of chemical physics, 2010-02, Vol.132 (6), p.064107-064107

2010

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Waste-recycling Monte Carlo with optimal estimates: Application to free energy calculations in alloys

The Journal of chemical physics, 2011-07, Vol.135 (4), p.044127-044127-13

2011

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Multipole moments of water molecules and the aqueous solvation of monovalent ions

Journal of molecular liquids, 2017-02, Vol.228 (C)

2017

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Quasiharmonic analysis of protein energy landscapes from pressure-temperature molecular dynamics simulations

The Journal of chemical physics, 2017-09, Vol.147 (12)

2017

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What Makes Enzymes Work? Exploring Protein Dynamics in P-T-X

Biophysical journal, 2017-02, Vol.112 (3), p.353a-353a

2017

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Extreme Biophysics: Enzymes under Pressure

Biophysical journal, 2017-02, Vol.112 (3), p.353a-353a

2017

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Extreme biophysics: Enzymes under pressure

Journal of computational chemistry, 2017-01, Vol.38 (15)

2017

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Extreme biophysics: Enzymes under pressure

Effects of Pressure and Temperature on the Atomic Fluctuations of Dihydrofolate Reductase from a Psychropiezophile and a Mesophile

Molecular Simulation of the DMPC-Cholesterol Phase Diagram

Understanding the Phase Behavior of Coarse-Grained Model Lipid Bilayers through Computational Calorimetry

Interplay of local hydrogen-bonding and long-ranged dipolar forces in simulations of confined water

Molecular Simulation of the Effect of Cholesterol on Lipid-Mediated Protein-Protein Interactions

Attraction between like-charged walls: Short-ranged simulations using local molecular field theory

Local Molecular Field Theory for Nonequilibrium Systems

Multipole moments of water molecules and the aqueous solvation of monovalent ions

Quasiharmonic Analysis of the Energy Landscapes of Dihydrofolate Reductase from Piezophiles and Mesophiles

Quasiharmonic analysis of protein energy landscapes from pressure-temperature molecular dynamics simulations

Local molecular field theory for the treatment of electrostatics

Adaptations for pressure and temperature effects on loop motion in Escherichia coli and Moritella profunda dihydrofolate reductase

Deconstructing Classical Water Models at Interfaces and in Bulk

Molecular Monte Carlo Simulations Using Graphics Processing Units: To Waste Recycle or Not?

Accurate thermodynamics for short-ranged truncations of Coulomb interactions in site-site molecular models

On the Equivalence of Schemes for Simulating Bilayers at Constant Surface Tension

On the efficient and accurate short-ranged simulations of uniform polar molecular liquids

Alcohol solubility in a lipid bilayer: Efficient grand-canonical simulation of an interfacially active molecule

Waste-recycling Monte Carlo with optimal estimates: Application to free energy calculations in alloys

Multipole moments of water molecules and the aqueous solvation of monovalent ions

Quasiharmonic analysis of protein energy landscapes from pressure-temperature molecular dynamics simulations

What Makes Enzymes Work? Exploring Protein Dynamics in P-T-X

Extreme Biophysics: Enzymes under Pressure

Extreme biophysics: Enzymes under pressure

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