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Sensitivity of pnicogen, chalcogen, halogen and H-bonds to angular distortions

Chemical physics letters, 2012-04, Vol.532, p.31-35

2012

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Magnitude and Mechanism of Charge Enhancement of CH··O Hydrogen Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-10, Vol.117 (40), p.10551-10562

2013

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Mechanism of Membrane Poration by Shock Wave Induced Nanobubble Collapse: A Molecular Dynamics Study

The journal of physical chemistry. B, 2015-05, Vol.119 (20), p.6225-6234

2015

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Computational Estimation of Microsecond to Second Atomistic Folding Times

Journal of the American Chemical Society, 2019-04, Vol.141 (16), p.6519-6526

2019

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Effects of Charge and Substituent on the S···N Chalcogen Bond

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-05, Vol.118 (17), p.3183-3192

2014

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Substituent Effects on Cl···N, S···N, and P···N Noncovalent Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-04, Vol.116 (13), p.3487-3497

2012

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Comparison of P⋯D (D = P,N) with other noncovalent bonds in molecular aggregates

The Journal of chemical physics, 2011-11, Vol.135 (18), p.184306-184306-10

2011

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Abilities of Different Electron Donors (D) to Engage in a P···D Noncovalent Interaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-10, Vol.115 (40), p.11101-11110

2011

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Effects of carbon chain substituents on the P⋯N noncovalent bond

Chemical physics letters, 2012-05, Vol.536, p.30-33

2012

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Preferred Configurations of Peptide–Peptide Interactions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-01, Vol.117 (2), p.489-496

2013

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The S⋯N noncovalent interaction: Comparison with hydrogen and halogen bonds

Chemical physics letters, 2011-09, Vol.514 (1-3), p.36-39

2011

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Nanobubbles, cavitation, shock waves and traumatic brain injury

Physical chemistry chemical physics : PCCP, 2016-12, Vol.18 (48), p.32638-32652

2016

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Competition between lone pair–π, halogen bond, and hydrogen bond in adducts of water with perhalogenated alkenes C2ClnF4−n (n=0–4)

Chemical physics, 2014-08, Vol.440, p.53-63

2014

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Contributions of Various Noncovalent Bonds to the Interaction between an Amide and S-Containing Molecules

Chemphyschem, 2012-10, Vol.13 (15), p.3535-3541

2012

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First Steps in Growth of a Polypeptide toward β‑Sheet Structure

The journal of physical chemistry. B, 2013-10, Vol.117 (39), p.11575-11583

2013

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Effects of Charge and Substituent on the S...N Chalcogen Bond

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-05, Vol.118 (17), p.3183-3192-3183-3192

2014

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Weighted Ensemble Simulation Studies of Millisecond Folder NTL9

Biophysical journal, 2018-02, Vol.114 (3), p.558a-558a

2018

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Statistically Reliable Molecular Dynamics Simulations of Transient Conformational Changes in the Estrogen Receptor

Biophysical journal, 2018-02, Vol.114 (3), p.674a-674a

2018

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Properties of Poloxamer Molecules and Poloxamer Micelles Dissolved in Water and Next to Lipid Bilayers: Results from Computer Simulations

The journal of physical chemistry. B, 2016-07, Vol.120 (26), p.5823-5830

2016

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Magnitude and Mechanism of Charge Enhancement of CH..O Hydrogen Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-10, Vol.117 (40), p.10551-10562-10551-10562

2013

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Interaction of Poloxamers with Lipid Bilayer: Molecular Dynamics Simulations using United Atom and Coarse-Grained Force Fields

Biophysical journal, 2016-02, Vol.110 (3), p.246a-246a

2016

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Substituent Effects on Cl...N, S...N, and P...N Noncovalent Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-04, Vol.116 (13), p.3487-3497-3487-3497

2012

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Computational estimation of ms-sec atomistic folding times

Journal of the American Chemical Society, 2019-04, Vol.141 (16), p.6519-6526

2019

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Correction to “Computational Estimation of Microsecond to Second Atomistic Folding Times”

Journal of the American Chemical Society, 2021-05, Vol.143 (19), p.7588-7588

2021

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Abilities of Different Electron Donors (D) to Engage in a P...D Noncovalent Interaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-01, Vol.115 (40), p.11101-11110-11101-11110

2011

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Sensitivity of pnicogen, chalcogen, halogen and H-bonds to angular distortions

Magnitude and Mechanism of Charge Enhancement of CH··O Hydrogen Bonds

Mechanism of Membrane Poration by Shock Wave Induced Nanobubble Collapse: A Molecular Dynamics Study

Computational Estimation of Microsecond to Second Atomistic Folding Times

Effects of Charge and Substituent on the S···N Chalcogen Bond

Substituent Effects on Cl···N, S···N, and P···N Noncovalent Bonds

Comparison of P⋯D (D = P,N) with other noncovalent bonds in molecular aggregates

Abilities of Different Electron Donors (D) to Engage in a P···D Noncovalent Interaction

Effects of carbon chain substituents on the P⋯N noncovalent bond

Preferred Configurations of Peptide–Peptide Interactions

The S⋯N noncovalent interaction: Comparison with hydrogen and halogen bonds

Nanobubbles, cavitation, shock waves and traumatic brain injury

Competition between lone pair–π, halogen bond, and hydrogen bond in adducts of water with perhalogenated alkenes C2ClnF4−n (n=0–4)

Contributions of Various Noncovalent Bonds to the Interaction between an Amide and S-Containing Molecules

First Steps in Growth of a Polypeptide toward β‑Sheet Structure

Effects of Charge and Substituent on the S...N Chalcogen Bond

Weighted Ensemble Simulation Studies of Millisecond Folder NTL9

Statistically Reliable Molecular Dynamics Simulations of Transient Conformational Changes in the Estrogen Receptor

Properties of Poloxamer Molecules and Poloxamer Micelles Dissolved in Water and Next to Lipid Bilayers: Results from Computer Simulations

Magnitude and Mechanism of Charge Enhancement of CH..O Hydrogen Bonds

Interaction of Poloxamers with Lipid Bilayer: Molecular Dynamics Simulations using United Atom and Coarse-Grained Force Fields

Substituent Effects on Cl...N, S...N, and P...N Noncovalent Bonds

Computational estimation of ms-sec atomistic folding times

Correction to “Computational Estimation of Microsecond to Second Atomistic Folding Times”

Abilities of Different Electron Donors (D) to Engage in a P...D Noncovalent Interaction

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