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Stability and Metastability of Liquid Water in a Machine-Learned Coarse-Grained Model with Short-Range Interactions

The journal of physical chemistry. B, 2022-12, Vol.126 (47), p.9881-9892

2022

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NMR Studies on the Interaction of Anticancer Drug Doxorubicin with Membrane Mimetic SDS

The journal of physical chemistry. B, 2022-12, Vol.126 (48), p.10237-10248

2022

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Is a Methyl Group Always Hydrophobic? Hydrophilicity of Trimethylamine-N-oxide, Tetramethyl Urea and Tetramethylammonium Ion

The journal of physical chemistry. B, 2011-03, Vol.115 (12), p.2995-3002

2011

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Concentration Dependent Self-Assembly of TrK-NGF Receptor Derived Tripeptide: New Insights from Experiment and Computer Simulations

The journal of physical chemistry. B, 2017-02, Vol.121 (4), p.815-824

2017

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“Invisible” Detergents Enable a Reliable Determination of Solution Structures of Native Photosystems by Small-Angle Neutron Scattering

The journal of physical chemistry. B, 2022-04, Vol.126 (15), p.2824-2833

2022

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Slow Folding of a Helical Protein: Large Barriers, Strong Internal Friction, or a Shallow, Bumpy Landscape?

The journal of physical chemistry. B, 2020-10, Vol.124 (41), p.8973-8983

2020

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Exploring the Changes in the Structure of α-Helical Peptides Adsorbed onto a Single Walled Carbon Nanotube Using Classical Molecular Dynamics Simulation

The journal of physical chemistry. B, 2010-11, Vol.114 (44), p.14048-14058

2010

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Theoretical Insights into the Role of Water in the Dissolution of Cellulose Using IL/Water Mixed Solvent Systems

The journal of physical chemistry. B, 2015-11, Vol.119 (45), p.14339-14349

2015

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Fast NMR Data Acquisition From Bicelles Containing a Membrane-Associated Peptide at Natural-Abundance

The journal of physical chemistry. B, 2011-11, Vol.115 (43), p.12448-12455

2011

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Molecular Dynamics and Umbrella Sampling Study of Stabilizing Factors in Cyclic Peptide-Based Nanotubes

The journal of physical chemistry. B, 2012-08, Vol.116 (33), p.9922-9933

2012

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Identification of an Electrostatic Ruler Motif for Sequence-Specific Binding of Collagenase to Collagen

The journal of physical chemistry. B, 2016-08, Vol.120 (33), p.8580-8589

2016

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A Molecular Dynamics and Computational Study of Ligand Docking and Electron Transfer in Ferritins

The journal of physical chemistry. B, 2012-08, Vol.116 (31), p.9287-9302

2012

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Structural Basis for the Varying Propensities of Different Amino Acids To Adopt the Collagen Conformation

The journal of physical chemistry. B, 2011-03, Vol.115 (11), p.2593-2607

2011

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Role of Length-Dependent Stability of Collagen-like Peptides

The journal of physical chemistry. B, 2008-02, Vol.112 (5), p.1533-1539

2008

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Site Specific Interaction of the Polyphenol EGCG with the SEVI Amyloid Precursor Peptide PAP(248–286)

The journal of physical chemistry. B, 2012-03, Vol.116 (11), p.3650-3658

2012

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Studies on the Structure and Stability of Cyclic Peptide Based Nanotubes Using Oligomeric Approach: A Computational Chemistry Investigation

The journal of physical chemistry. B, 2010-12, Vol.114 (49), p.16574-16583

2010

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Molecular Dynamics Studies on Native, Loop-Contracted, and Metal Ion-Substituted Azurins

The journal of physical chemistry. B, 2010-07, Vol.114 (25), p.8474-8486

2010

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Self-Assembled Light-Harvesting System from Chromophores in Lipid Vesicles

The journal of physical chemistry. B, 2015-08, Vol.119 (32), p.10231-10243

2015

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Side-chain dynamics reveals transient association of Aβ(1-40) monomers with amyloid fibers

The journal of physical chemistry. B, 2012-11, Vol.116 (46), p.13618-13623

2012

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Monte Carlo Simulation of Electrodeposition of Copper: A Multistep Free Energy Calculation

The journal of physical chemistry. B, 2008-04, Vol.112 (13), p.4036-4047

2008

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Molecular Dynamics Investigations on the Effect of d Amino Acid Substitution in a Triple-Helix Structure and the Stability of Collagen

The journal of physical chemistry. B, 2009-07, Vol.113 (26), p.8983-8992

2009

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Role of Aspartic Acid in Collagen Structure and Stability: A Molecular Dynamics Investigation

The journal of physical chemistry. B, 2006-10, Vol.110 (41), p.20678-20685

2006

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Helix Forming Tendency of Valine Substituted Poly-Alanine: A Molecular Dynamics Investigation

The journal of physical chemistry. B, 2008-07, Vol.112 (30), p.9100-9104

2008

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Characterization of Covalent Linkages in Organically Functionalized MCM-41 Mesoporous Materials by Solid-State NMR and Theoretical Calculations

The journal of physical chemistry. B, 2007-04, Vol.111 (15), p.3877-3885

2007

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Molecular Orbital Calculations on Polythiophenes Containing Heterocyclic Substituents: Effect of Structure on Electronic Transitions

The journal of physical chemistry. B, 2006-07, Vol.110 (29), p.14078-14086

2006

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Stability and Metastability of Liquid Water in a Machine-Learned Coarse-Grained Model with Short-Range Interactions

NMR Studies on the Interaction of Anticancer Drug Doxorubicin with Membrane Mimetic SDS

Is a Methyl Group Always Hydrophobic? Hydrophilicity of Trimethylamine-N-oxide, Tetramethyl Urea and Tetramethylammonium Ion

Concentration Dependent Self-Assembly of TrK-NGF Receptor Derived Tripeptide: New Insights from Experiment and Computer Simulations

“Invisible” Detergents Enable a Reliable Determination of Solution Structures of Native Photosystems by Small-Angle Neutron Scattering

Slow Folding of a Helical Protein: Large Barriers, Strong Internal Friction, or a Shallow, Bumpy Landscape?

Exploring the Changes in the Structure of α-Helical Peptides Adsorbed onto a Single Walled Carbon Nanotube Using Classical Molecular Dynamics Simulation

Theoretical Insights into the Role of Water in the Dissolution of Cellulose Using IL/Water Mixed Solvent Systems

Fast NMR Data Acquisition From Bicelles Containing a Membrane-Associated Peptide at Natural-Abundance

Molecular Dynamics and Umbrella Sampling Study of Stabilizing Factors in Cyclic Peptide-Based Nanotubes

Identification of an Electrostatic Ruler Motif for Sequence-Specific Binding of Collagenase to Collagen

A Molecular Dynamics and Computational Study of Ligand Docking and Electron Transfer in Ferritins

Structural Basis for the Varying Propensities of Different Amino Acids To Adopt the Collagen Conformation

Role of Length-Dependent Stability of Collagen-like Peptides

Site Specific Interaction of the Polyphenol EGCG with the SEVI Amyloid Precursor Peptide PAP(248–286)

Studies on the Structure and Stability of Cyclic Peptide Based Nanotubes Using Oligomeric Approach: A Computational Chemistry Investigation

Molecular Dynamics Studies on Native, Loop-Contracted, and Metal Ion-Substituted Azurins

Self-Assembled Light-Harvesting System from Chromophores in Lipid Vesicles

Side-chain dynamics reveals transient association of Aβ(1-40) monomers with amyloid fibers

Monte Carlo Simulation of Electrodeposition of Copper: A Multistep Free Energy Calculation

Molecular Dynamics Investigations on the Effect of d Amino Acid Substitution in a Triple-Helix Structure and the Stability of Collagen

Role of Aspartic Acid in Collagen Structure and Stability: A Molecular Dynamics Investigation

Helix Forming Tendency of Valine Substituted Poly-Alanine: A Molecular Dynamics Investigation

Characterization of Covalent Linkages in Organically Functionalized MCM-41 Mesoporous Materials by Solid-State NMR and Theoretical Calculations

Molecular Orbital Calculations on Polythiophenes Containing Heterocyclic Substituents: Effect of Structure on Electronic Transitions

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