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Adsorption mechanism of single amino acid and surfactant molecules to Au {111} surfaces in aqueous solution: design rules for metal-binding molecules

Soft matter, 2011-01, Vol.7 (5), p.2113-2120

2011

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Thermally induced structural organization of nanodiscs by coarse-grained molecular dynamics simulations

Biophysical chemistry, 2020-12, Vol.267, p.106464-106464, Article 106464

2020

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Conformation, flexibility and hydration of hyaluronic acid by molecular dynamics simulations

Carbohydrate research, 2020-07, Vol.493, p.108026-108026, Article 108026

2020

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Inferring the three-dimensional structures of the X-chromosome during X-inactivation

Mathematical biosciences and engineering : MBE, 2019-08, Vol.16 (6), p.7384-7404

2019

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Conformational response to solvent interaction and temperature of a protein (Histone h3.1) by a multi-grained monte carlo simulation

PloS one, 2013-10, Vol.8 (10), p.e76069-e76069

2013

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A hierarchical coarse-grained (all-atom-to-all-residue) computer simulation approach: self-assembly of peptides

PloS one, 2013-08, Vol.8 (8), p.e70847-e70847

2013

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Random coil to globular thermal response of a protein (H3.1) with three knowledge-based coarse-grained potentials

PloS one, 2012-11, Vol.7 (11), p.e49352-e49352

2012

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Variation in structure of a protein (H2AX) with knowledge-based interactions

PloS one, 2013-05, Vol.8 (5), p.e64507-e64507

2013

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Comparative omics analysis for novel target discovery in plant pathogens: A case study for Magnaporthe oryzae

Plant pathology, 2024-04, Vol.73 (3), p.564-577

2024

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Conformational temperature-dependent behavior of a histone H2AX: a coarse-grained Monte Carlo approach via knowledge-based interaction potentials

PloS one, 2012-03, Vol.7 (3), p.e32075-e32075

2012

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Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd−Au Bimetal Surfaces in Aqueous Solution

Journal of the American Chemical Society, 2009-07, Vol.131 (28), p.9704-9714

2009

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Dynamics and Environmental Characteristics of Spin Labels in a KvAP Voltage Sensor by Molecular Dynamics Simulations

The journal of physical chemistry. B, 2021-01, Vol.125 (3), p.748-756

2021

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Bioassembled Layered Silicate-Metal Nanoparticle Hybrids

ACS applied materials & interfaces, 2010-05, Vol.2 (5), p.1492-1498

2010

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Supramolecular assembly of a biomineralizing antimicrobial peptide in coarse-grained Monte Carlo simulations

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (3), p.1123-1130

2011

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Monte Carlo simulation of a film growth with reactive hydrophobic, polar, and aqueous components by a covalent bond fluctuating model

The Journal of chemical physics, 2007-04, Vol.126 (16), p.164708-164708-8

2007

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Layer of clay platelets in a peptide matrix: Binding, encapsulation, and morphology

Journal of polymer science. Part B, Polymer physics, 2010-12, Vol.48 (24), p.2566-2574

2010

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Effect of Temperature and Solvent on Dispersion of Layered Platelets Studied by Monte Carlo Simulation

Macromolecular theory and simulations, 2008-07, Vol.17 (4-5), p.208-216

2008

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Film Formation from Aqueous Polyurethane Dispersions of Reactive Hydrophobic and Hydrophilic Components; Spectroscopic Studies and Monte Carlo Simulations

Langmuir, 2005-04, Vol.21 (9), p.4034-4042

2005

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Semidilute and Concentrated Polymer Solutions near Attractive Walls: Dynamic Monte Carlo Simulation of Density and Pressure Profiles of a Coarse-Grained Model

Macromolecules, 1997-02, Vol.30 (4), p.1194-1204

1997

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Thermal Roughening and Deroughening at Polymer Interfaces in Electrophoretic Deposition

Macromolecules, 2005-02, Vol.38 (3), p.992-995

2005

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A momentum trading approach to technical analysis of Dow Jones industrials

Physica A, 2004-01, Vol.331 (3), p.639-650

2004

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Conformational Response to Solvent Interaction and Temperature of a Protein

PloS one, 2013-10, Vol.8 (10), p.e76069

2013

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Polymer interface changes in electrophoretic deposition

Progress in organic coatings, 2003-09, Vol.47 (3), p.324-330

Pandey, Ras B

2003

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Random Coil to Globular Thermal Response of a Protein

PloS one, 2012-11, Vol.7 (11), p.e49352

2012

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Radical initiated polymerization in a bifunctional mixture via computer simulation

The Journal of chemical physics, 2004-06, Vol.120 (24), p.11905-11909

2004

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Adsorption mechanism of single amino acid and surfactant molecules to Au {111} surfaces in aqueous solution: design rules for metal-binding molecules

Thermally induced structural organization of nanodiscs by coarse-grained molecular dynamics simulations

Conformation, flexibility and hydration of hyaluronic acid by molecular dynamics simulations

Inferring the three-dimensional structures of the X-chromosome during X-inactivation

Conformational response to solvent interaction and temperature of a protein (Histone h3.1) by a multi-grained monte carlo simulation

A hierarchical coarse-grained (all-atom-to-all-residue) computer simulation approach: self-assembly of peptides

Random coil to globular thermal response of a protein (H3.1) with three knowledge-based coarse-grained potentials

Variation in structure of a protein (H2AX) with knowledge-based interactions

Comparative omics analysis for novel target discovery in plant pathogens: A case study for Magnaporthe oryzae

Conformational temperature-dependent behavior of a histone H2AX: a coarse-grained Monte Carlo approach via knowledge-based interaction potentials

Nature of Molecular Interactions of Peptides with Gold, Palladium, and Pd−Au Bimetal Surfaces in Aqueous Solution

Dynamics and Environmental Characteristics of Spin Labels in a KvAP Voltage Sensor by Molecular Dynamics Simulations

Bioassembled Layered Silicate-Metal Nanoparticle Hybrids

Supramolecular assembly of a biomineralizing antimicrobial peptide in coarse-grained Monte Carlo simulations

Monte Carlo simulation of a film growth with reactive hydrophobic, polar, and aqueous components by a covalent bond fluctuating model

Layer of clay platelets in a peptide matrix: Binding, encapsulation, and morphology

Effect of Temperature and Solvent on Dispersion of Layered Platelets Studied by Monte Carlo Simulation

Film Formation from Aqueous Polyurethane Dispersions of Reactive Hydrophobic and Hydrophilic Components; Spectroscopic Studies and Monte Carlo Simulations

Semidilute and Concentrated Polymer Solutions near Attractive Walls: Dynamic Monte Carlo Simulation of Density and Pressure Profiles of a Coarse-Grained Model

Thermal Roughening and Deroughening at Polymer Interfaces in Electrophoretic Deposition

A momentum trading approach to technical analysis of Dow Jones industrials

Conformational Response to Solvent Interaction and Temperature of a Protein

Polymer interface changes in electrophoretic deposition

Random Coil to Globular Thermal Response of a Protein

Radical initiated polymerization in a bifunctional mixture via computer simulation

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