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Fragment molecular orbital method: an approximate computational method for large molecules

Chemical physics letters, 1999-11, Vol.313 (3), p.701-706

1999

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The Fragment Molecular Orbital Method for Geometry Optimizations of Polypeptides and Proteins

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-04, Vol.111 (14), p.2722-2732

2007

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Fragment molecular orbital method: use of approximate electrostatic potential

Chemical physics letters, 2002-01, Vol.351 (5), p.475-480

2002

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Induction of adiponectin by natural and synthetic phenolamides in mouse and human preadipocytes and its enhancement by docosahexaenoic acid

Life sciences (1973), 2008-01, Vol.82 (5), p.290-300

2008

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Pair interaction molecular orbital method: an approximate computational method for molecular interactions

Chemical physics letters, 1999-10, Vol.312 (2), p.319-324

1999

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Molecular dynamics simulations revealed Ca2+‐dependent conformational change of Calmodulin

FEBS letters, 2002-06, Vol.521 (1-3), p.133-139

2002

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Fragment molecular orbital method: application to molecular dynamics simulation, ‘ab initio FMO-MD’

Chemical physics letters, 2003-04, Vol.372 (3), p.342-347

2003

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Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand–protein interaction in a pheromone-binding protein

Computational biology and chemistry, 2005-12, Vol.29 (6), p.434-439

2005

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Fast and accurate molecular dynamics simulation of a protein using a special-purpose computer

Journal of computational chemistry, 1997-09, Vol.18 (12), p.1546-1563

1997

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Change in Conformation by DNA-Peptide Association: Molecular Dynamics of the Hin-Recombinase–hixL Complex

Biophysical journal, 1999-07, Vol.77 (1), p.123-138

1999

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Ab initio quantum mechanical study of the binding energies of human estrogen receptor α with its ligands: An application of fragment molecular orbital method

Journal of computational chemistry, 2005-01, Vol.26 (1), p.1-10

2005

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Fragment molecular orbital method: application to polypeptides

Chemical physics letters, 2000-03, Vol.318 (6), p.614-618

2000

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Fragment molecular orbital method: analytical energy gradients

Chemical physics letters, 2001-03, Vol.336 (1), p.163-170

2001

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Molecular dynamics simulations revealed Ca(2+)-dependent conformational change of Calmodulin

FEBS letters, 2002-06, Vol.521 (1-3), p.133-139

2002

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Computational observation of an ion permeation through a channel protein

Bioscience reports, 1998-02, Vol.18 (1), p.39-48

1998

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Theoretical and Experimental Considerations on the Hammerhead Ribozyme Reactions: Divalent Magnesium Ion Mediated Cleavage of Phosphorus-Oxygen Bonds

Journal of organic chemistry, 1994-12, Vol.59 (24), p.7414-7420

1994

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Prediction of Endocrine Disruptors Based on a New Structure—Activity Relationship for Sex and Environmental Hormones Using Chemical Hardness Concept

Chemical and Pharmaceutical Bulletin, 2001, Vol.49(6), pp.680-688

2001

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A molecular dynamics study of solvent behavior around a protein

Proteins, structure, function, and bioinformatics, 1993-07, Vol.16 (3), p.268-277

1993

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Molecular Dynamics Simulation of the Hin-Recombinase-DNA Complex

Molecular simulation, 1999-01, Vol.21 (5-6), p.303-324

1999

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Molecular dynamics simulations of trp apo-and holorepressors: Domain structure and ligand-protein interaction

Proteins, structure, function, and bioinformatics, 1994-11, Vol.20 (3), p.248-258

1994

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Energetics of RNA cleavage: implications for the mechanism of action of ribozymes

Protein engineering, 1990-08, Vol.3 (8), p.691-701

1990

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Properties of dianionic oxyphosphorane intermediates: implication to the reaction profile for base-catalyzed RNA hydrolysis

Journal of organic chemistry, 1993-05, Vol.58 (11), p.3009-3017

1993

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Determination of the Absolute Configuration of (−)-2,2,2-(Trifluoro-1-hydroxyethyl)ferrocene

Bulletin of the Chemical Society of Japan, 1993-02, Vol.66 (2), p.666-669

1993

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Corrigendum to: Molecular dynamics simulations revealed Ca2+‐dependent conformational change of Calmodulin (FEBS 26172)

FEBS letters, 2002-07, Vol.523 (1-3), p.256-256

2002

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Corrigendum to: Molecular dynamics simulations revealed Ca 2+ ‐dependent conformational change of Calmodulin (FEBS 26172): FEBS Letters 521 (2002) 133–139

FEBS letters, 2002-07, Vol.523 (1-3), p.256-256

2002

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Fragment molecular orbital method: an approximate computational method for large molecules

The Fragment Molecular Orbital Method for Geometry Optimizations of Polypeptides and Proteins

Fragment molecular orbital method: use of approximate electrostatic potential

Induction of adiponectin by natural and synthetic phenolamides in mouse and human preadipocytes and its enhancement by docosahexaenoic acid

Pair interaction molecular orbital method: an approximate computational method for molecular interactions

Molecular dynamics simulations revealed Ca2+‐dependent conformational change of Calmodulin

Fragment molecular orbital method: application to molecular dynamics simulation, ‘ab initio FMO-MD’

Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand–protein interaction in a pheromone-binding protein

Fast and accurate molecular dynamics simulation of a protein using a special-purpose computer

Change in Conformation by DNA-Peptide Association: Molecular Dynamics of the Hin-Recombinase–hixL Complex

Ab initio quantum mechanical study of the binding energies of human estrogen receptor α with its ligands: An application of fragment molecular orbital method

Fragment molecular orbital method: application to polypeptides

Fragment molecular orbital method: analytical energy gradients

Molecular dynamics simulations revealed Ca(2+)-dependent conformational change of Calmodulin

Computational observation of an ion permeation through a channel protein

Theoretical and Experimental Considerations on the Hammerhead Ribozyme Reactions: Divalent Magnesium Ion Mediated Cleavage of Phosphorus-Oxygen Bonds

Prediction of Endocrine Disruptors Based on a New Structure—Activity Relationship for Sex and Environmental Hormones Using Chemical Hardness Concept

A molecular dynamics study of solvent behavior around a protein

Molecular Dynamics Simulation of the Hin-Recombinase-DNA Complex

Molecular dynamics simulations of trp apo-and holorepressors: Domain structure and ligand-protein interaction

Energetics of RNA cleavage: implications for the mechanism of action of ribozymes

Properties of dianionic oxyphosphorane intermediates: implication to the reaction profile for base-catalyzed RNA hydrolysis

Determination of the Absolute Configuration of (−)-2,2,2-(Trifluoro-1-hydroxyethyl)ferrocene

Corrigendum to: Molecular dynamics simulations revealed Ca2+‐dependent conformational change of Calmodulin (FEBS 26172)

Corrigendum to: Molecular dynamics simulations revealed Ca 2+ ‐dependent conformational change of Calmodulin (FEBS 26172): FEBS Letters 521 (2002) 133–139

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