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Generalized simulated tempering for exploring strong phase transitions

The Journal of chemical physics, 2010-10, Vol.133 (15), p.154101-154101-12

2010

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Exploring the Solid–Liquid Phase Change of an Adapted Dzugutov Model Using Generalized Replica Exchange Method

The journal of physical chemistry. B, 2012-07, Vol.116 (29), p.8654-8661

2012

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Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method

The Journal of chemical physics, 2014-11, Vol.141 (18), p.18C525-18C525

2014

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Entropic Stabilization of Proteins by TMAO

The journal of physical chemistry. B, 2011-11, Vol.115 (45), p.13401-13407

2011

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Impact of Cholesterol Concentration and Lipid Phase on Structure and Fluctuation of Amyloid Precursor Protein

The journal of physical chemistry. B, 2020-11, Vol.124 (45), p.10173-10185

2020

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Mode-Specific Vibrational Energy Relaxation of Amide I′ and II′ Modes in N-Methylacetamide/Water Clusters: Intra- and Intermolecular Energy Transfer Mechanisms

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-04, Vol.113 (13), p.3051-3060

2009

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Finite-Size Effects and Optimal System Sizes in Simulations of Surfactant Micelle Self-Assembly

The journal of physical chemistry. B, 2021-05, Vol.125 (19), p.5068-5077

2021

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Direct Observation of Cholesterol Dimers and Tetramers in Lipid Bilayers

The journal of physical chemistry. B, 2021-02, Vol.125 (7), p.1825-1837

2021

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Molecular Dynamics Study on the Solvent Dependent Heme Cooling Following Ligand Photolysis in Carbonmonoxy Myoglobin

The journal of physical chemistry. B, 2007-03, Vol.111 (12), p.3243-3250

2007

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Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction

Chemical reviews, 2020-08, Vol.120 (15), p.7152-7218

2020

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Replica exchange statistical temperature Monte Carlo

The Journal of chemical physics, 2009-03, Vol.130 (12), p.124112-124112-10

2009

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Influence of membrane lipid composition on the structure and activity of γ-secretase

Physical chemistry chemical physics : PCCP, 2018-11, Vol.20 (43), p.27294-27304

2018

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Probing the Origins of the Disorder-to-Order Transition of a Modified Cholesterol in Ternary Lipid Bilayers

Journal of the American Chemical Society, 2024-10, Vol.146 (40), p.27725-27735

2024

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Vibrational Energy Relaxation of Isotopically Labeled Amide I Modes in Cytochrome c: Theoretical Investigation of Vibrational Energy Relaxation Rates and Pathways

The journal of physical chemistry. B, 2007-10, Vol.111 (41), p.12017-12023

2007

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Time-dependent perturbation theory for vibrational energy relaxation and dephasing in peptides and proteins

The Journal of chemical physics, 2006-04, Vol.124 (14), p.144910-144910

2006

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Characterizing the structural ensemble of γ-secretase using a multiscale molecular dynamics approach

Chemical science (Cambridge), 2017-08, Vol.8 (8), p.5576-5584

2017

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Influence of Preformed Asp23−Lys28 Salt Bridge on the Conformational Fluctuations of Monomers and Dimers of Aβ Peptides with Implications for Rates of Fibril Formation

The journal of physical chemistry. B, 2009-01, Vol.113 (4), p.1162-1172

2009

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Exploring the impact of proteins on the line tension of a phase-separating ternary lipid mixture

The Journal of chemical physics, 2019-05, Vol.150 (20), p.204702-204702

2019

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Membrane–Protein Interactions Are Key to Understanding Amyloid Formation

The journal of physical chemistry letters, 2014-02, Vol.5 (3), p.633-635

2014

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Communication: Iteration-free, weighted histogram analysis method in terms of intensive variables

The Journal of chemical physics, 2011-08, Vol.135 (6), p.061103-061103-4

2011

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Direct evidence for mode-specific vibrational energy relaxation from quantum time-dependent perturbation theory. I. Five-coordinate ferrous iron porphyrin model

The Journal of chemical physics, 2009-01, Vol.130 (2), p.025102-025102

2009

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Spatio-temporal hierarchy in the dynamics of a minimalist protein model

The Journal of chemical physics, 2013-12, Vol.139 (21), p.215101-215101

2013

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Directed Energy “Funneling" Mechanism for Heme Cooling Following Ligand Photolysis or Direct Excitation in Solvated Carbonmonoxy Myoglobin

The journal of physical chemistry. B, 2001-07, Vol.105 (29), p.7057-7063

2001

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Structures of β-Amyloid Peptide 1−40, 1−42, and 1−55the 672−726 Fragment of APPin a Membrane Environment with Implications for Interactions with γ-Secretase

Journal of the American Chemical Society, 2009-12, Vol.131 (49), p.17843-17852

2009

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Enhanced sampling method in molecular simulations using genetic algorithm for biomolecular systems

Journal of computational chemistry, 2019-01, Vol.40 (2), p.475-481

2019

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Generalized simulated tempering for exploring strong phase transitions

Exploring the Solid–Liquid Phase Change of an Adapted Dzugutov Model Using Generalized Replica Exchange Method

Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method

Entropic Stabilization of Proteins by TMAO

Impact of Cholesterol Concentration and Lipid Phase on Structure and Fluctuation of Amyloid Precursor Protein

Mode-Specific Vibrational Energy Relaxation of Amide I′ and II′ Modes in N-Methylacetamide/Water Clusters: Intra- and Intermolecular Energy Transfer Mechanisms

Finite-Size Effects and Optimal System Sizes in Simulations of Surfactant Micelle Self-Assembly

Direct Observation of Cholesterol Dimers and Tetramers in Lipid Bilayers

Molecular Dynamics Study on the Solvent Dependent Heme Cooling Following Ligand Photolysis in Carbonmonoxy Myoglobin

Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction

Replica exchange statistical temperature Monte Carlo

Influence of membrane lipid composition on the structure and activity of γ-secretase

Probing the Origins of the Disorder-to-Order Transition of a Modified Cholesterol in Ternary Lipid Bilayers

Vibrational Energy Relaxation of Isotopically Labeled Amide I Modes in Cytochrome c: Theoretical Investigation of Vibrational Energy Relaxation Rates and Pathways

Time-dependent perturbation theory for vibrational energy relaxation and dephasing in peptides and proteins

Characterizing the structural ensemble of γ-secretase using a multiscale molecular dynamics approach

Influence of Preformed Asp23−Lys28 Salt Bridge on the Conformational Fluctuations of Monomers and Dimers of Aβ Peptides with Implications for Rates of Fibril Formation

Exploring the impact of proteins on the line tension of a phase-separating ternary lipid mixture

Membrane–Protein Interactions Are Key to Understanding Amyloid Formation

Communication: Iteration-free, weighted histogram analysis method in terms of intensive variables

Direct evidence for mode-specific vibrational energy relaxation from quantum time-dependent perturbation theory. I. Five-coordinate ferrous iron porphyrin model

Spatio-temporal hierarchy in the dynamics of a minimalist protein model

Directed Energy “Funneling" Mechanism for Heme Cooling Following Ligand Photolysis or Direct Excitation in Solvated Carbonmonoxy Myoglobin

Structures of β-Amyloid Peptide 1−40, 1−42, and 1−55the 672−726 Fragment of APPin a Membrane Environment with Implications for Interactions with γ-Secretase

Enhanced sampling method in molecular simulations using genetic algorithm for biomolecular systems

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