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Molecular dynamics simulations of the decomposition and U s -U p relationship of RDX molecular crystal subjected to high velocity impact

Journal of molecular modeling, 2023-02, Vol.29 (2), p.50

2023

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Molecular dynamics simulations of structure and dynamics in aqueous solution of neutral and ionized derivatives of poly(F): methyl, n-propyl, and isopropyl substitutions

Journal of molecular modeling, 2022-06, Vol.28 (6), p.151-151

2022

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Characterization of adenosine receptor in its native environment: insights from molecular dynamics simulations of palmitoylated/glycosylated, membrane-integrated human A(2B) adenosine receptor

Journal of molecular modeling, 2012-09, Vol.18 (9), p.4309

2012

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Protein kinase C mediated pH(i)-regulation of ROMK1 channels via a phosphatidylinositol-4,5-bisphosphate-dependent mechanism

Journal of molecular modeling, 2012-07, Vol.18 (7), p.2929

2012

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Insights into the permeability of drugs and drug-like molecules from MI-QSAR and HQSAR studies

Journal of molecular modeling, 2012-03, Vol.18 (3), p.947

2012

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Molecular modeling and dynamics simulation of a histidine-tagged cytochrome b

Journal of molecular modeling, 2011-05, Vol.17 (5), p.971-978

2011

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Homology modeling and molecular dynamics simulations of MUC1-9/H-2K(b) complex suggest novel binding interactions

Journal of molecular modeling, 2011-07, Vol.17 (7), p.1817-1829

2011

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Molecular modeling of the von Willebrand factor A2 Domain and the effects of associated type 2A von Willebrand disease mutations

Journal of molecular modeling, 2004-08, Vol.10 (4), p.259-270

2004

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Structure and dynamics of Candida rugosa lipase: the role of organic solvent

Journal of molecular modeling, 2004-12, Vol.10 (5-6), p.358-366

2004

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Study of the inhibition of cyclin-dependent kinases with roscovitine and indirubin-3'-oxime from molecular dynamics simulations

Journal of molecular modeling, 2007-01, Vol.13 (1), p.79-89

2007

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Molecular modeling of the effects of mutant alleles on chalcone synthase protein structure

Journal of molecular modeling, 2006-09, Vol.12 (6), p.905-914

2006

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Mesoscopic dynamics of colloids simulated with dissipative particle dynamics and fluid particle model

Journal of molecular modeling, 2002-01, Vol.8 (1), p.33-43

2002

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Structural and functional characterization of the human CCR5 receptor in complex with HIV gp120 envelope glycoprotein and CD4 receptor by molecular modeling studies

Journal of molecular modeling, 2003-10, Vol.9 (5), p.329-336

2003

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The effect of salt concentration on DNA conformation transition: a molecular-dynamics study

Journal of molecular modeling, 2006-02, Vol.12 (3), p.249-254

2006

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Molecular dynamics studies on HIV-1 protease: a comparison of the flap motions between wild type protease and the M46I/G51D double mutant

Journal of molecular modeling, 2007-11, Vol.13 (11), p.1151-1156

2007

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Active site modeling in copper azurin molecular dynamics simulations

Journal of molecular modeling, 2004-02, Vol.10 (1), p.25-31

2004

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Molecular-dynamics simulations of pyronine 6G and rhodamine 6G dimers in aqueous solution

Journal of molecular modeling, 2006-09, Vol.12 (6), p.885-896

2006

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Characterization of molecular structures and properties of polyurethanes using molecular dynamics simulations

Journal of molecular modeling, 2004-08, Vol.10 (4), p.240-249

2004

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Molecular Dynamics Simulations of Zinc Ions in Water Using CHARMM

Journal of molecular modeling, 1997-01, Vol.3 (6), p.224-232

1997

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Three-dimensional solution structure of Tropidechis carinatus venom extract trocarin: a structural homologue of Xa and prothrombin activator

Journal of molecular modeling, 2002-10, Vol.8 (10), p.302-313

2002

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Rabbit indolethylamine N -methyltransferase three-dimensional structure prediction: a model approach to bridge sequence to function in pharmacogenomic studies

Journal of molecular modeling, 2001-01, Vol.7 (9), p.324-333

2001

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Comment on Molecular Dynamics Simulations of Zinc Ions in Water Using CHARMM

Journal of Molecular Modeling, 1998-01, Vol.4 (4), p.145-146

1998

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Simulation of Surface Excess Concentrations for a Binary Hydrocarbon Mixture on Graphite

Journal of molecular modeling, 1997-01, Vol.3 (8), p.315-320

1997

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On the Entropic and Hydrophobic Properties Involved in the Inhibitory Mechanism of Carboxypeptidase A by its Natural Inhibitor from Potato

Journal of molecular modeling, 1995-01, Vol.1 (2), p.54-67

1995

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A Hybrid Density Functional-Classical Molecular Dynamics Simulation of a Water Molecule in Liquid Water

Journal of molecular modeling, , Vol.1 (4), p.196-201

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Molecular dynamics simulations of the decomposition and U s -U p relationship of RDX molecular crystal subjected to high velocity impact

Molecular dynamics simulations of structure and dynamics in aqueous solution of neutral and ionized derivatives of poly(F): methyl, n-propyl, and isopropyl substitutions

Characterization of adenosine receptor in its native environment: insights from molecular dynamics simulations of palmitoylated/glycosylated, membrane-integrated human A(2B) adenosine receptor

Protein kinase C mediated pH(i)-regulation of ROMK1 channels via a phosphatidylinositol-4,5-bisphosphate-dependent mechanism

Insights into the permeability of drugs and drug-like molecules from MI-QSAR and HQSAR studies

Molecular modeling and dynamics simulation of a histidine-tagged cytochrome b

Homology modeling and molecular dynamics simulations of MUC1-9/H-2K(b) complex suggest novel binding interactions

Molecular modeling of the von Willebrand factor A2 Domain and the effects of associated type 2A von Willebrand disease mutations

Structure and dynamics of Candida rugosa lipase: the role of organic solvent

Study of the inhibition of cyclin-dependent kinases with roscovitine and indirubin-3'-oxime from molecular dynamics simulations

Molecular modeling of the effects of mutant alleles on chalcone synthase protein structure

Mesoscopic dynamics of colloids simulated with dissipative particle dynamics and fluid particle model

Structural and functional characterization of the human CCR5 receptor in complex with HIV gp120 envelope glycoprotein and CD4 receptor by molecular modeling studies

The effect of salt concentration on DNA conformation transition: a molecular-dynamics study

Molecular dynamics studies on HIV-1 protease: a comparison of the flap motions between wild type protease and the M46I/G51D double mutant

Active site modeling in copper azurin molecular dynamics simulations

Molecular-dynamics simulations of pyronine 6G and rhodamine 6G dimers in aqueous solution

Characterization of molecular structures and properties of polyurethanes using molecular dynamics simulations

Molecular Dynamics Simulations of Zinc Ions in Water Using CHARMM

Three-dimensional solution structure of Tropidechis carinatus venom extract trocarin: a structural homologue of Xa and prothrombin activator

Rabbit indolethylamine N -methyltransferase three-dimensional structure prediction: a model approach to bridge sequence to function in pharmacogenomic studies

Comment on Molecular Dynamics Simulations of Zinc Ions in Water Using CHARMM

Simulation of Surface Excess Concentrations for a Binary Hydrocarbon Mixture on Graphite

On the Entropic and Hydrophobic Properties Involved in the Inhibitory Mechanism of Carboxypeptidase A by its Natural Inhibitor from Potato

A Hybrid Density Functional-Classical Molecular Dynamics Simulation of a Water Molecule in Liquid Water

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