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Generalized Born Implicit Solvent Models for Biomolecules

Annual review of biophysics, 2019-05, Vol.48 (1), p.275-296

2019

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Why Computed Protein Folding Landscapes Are Sensitive to the Water Model

Journal of chemical theory and computation, 2019-01, Vol.15 (1), p.625-636

2019

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Significant compaction of H4 histone tail upon charge neutralization by acetylation and its mimics, possible effects on chromatin structure

Journal of molecular biology, 2021-03, Vol.433 (6), p.166683-166683, Article 166683

2021

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Implicit Solvent Model for Million-Atom Atomistic Simulations: Insights into the Organization of 30-nm Chromatin Fiber

Journal of chemical theory and computation, 2016-12, Vol.12 (12), p.5946-5959

2016

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Protein–Ligand Electrostatic Binding Free Energies from Explicit and Implicit Solvation

Journal of chemical theory and computation, 2015-09, Vol.11 (9), p.4450-4459

2015

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Grid-Based Surface Generalized Born Model for Calculation of Electrostatic Binding Free Energies

Journal of chemical information and modeling, 2017-10, Vol.57 (10), p.2505-2513

2017

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Multidimensional Global Optimization and Robustness Analysis in the Context of Protein–Ligand Binding

Journal of chemical theory and computation, 2020-07, Vol.16 (7), p.4669-4684

2020

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Charge Hydration Asymmetry: The Basic Principle and How to Use It to Test and Improve Water Models

The journal of physical chemistry. B, 2012-08, Vol.116 (32), p.9776-9783

2012

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Accuracy Comparison of Generalized Born Models in the Calculation of Electrostatic Binding Free Energies

Journal of chemical theory and computation, 2018-03, Vol.14 (3), p.1656-1670

2018

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Accurate Evaluation of Charge Asymmetry in Aqueous Solvation

The journal of physical chemistry. B, 2015-05, Vol.119 (20), p.6092-6100

2015

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A strategy for reducing gross errors in the generalized Born models of implicit solvation

The Journal of chemical physics, 2011-04, Vol.134 (16), p.164104-164104-15

2011

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Correlation between computed equilibrium secondary structure free energy and siRNA efficiency

2009 IEEE International Conference on Bioinformatics and Biomedicine Workshop, 2009, p.358-358

2009

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Generalized Born Implicit Solvent Models for Biomolecules

Why Computed Protein Folding Landscapes Are Sensitive to the Water Model

Significant compaction of H4 histone tail upon charge neutralization by acetylation and its mimics, possible effects on chromatin structure

Implicit Solvent Model for Million-Atom Atomistic Simulations: Insights into the Organization of 30-nm Chromatin Fiber

Protein–Ligand Electrostatic Binding Free Energies from Explicit and Implicit Solvation

Grid-Based Surface Generalized Born Model for Calculation of Electrostatic Binding Free Energies

Multidimensional Global Optimization and Robustness Analysis in the Context of Protein–Ligand Binding

Charge Hydration Asymmetry: The Basic Principle and How to Use It to Test and Improve Water Models

Accuracy Comparison of Generalized Born Models in the Calculation of Electrostatic Binding Free Energies

Accurate Evaluation of Charge Asymmetry in Aqueous Solvation

A strategy for reducing gross errors in the generalized Born models of implicit solvation

Correlation between computed equilibrium secondary structure free energy and siRNA efficiency

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