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Hydrogen bond network topology in liquid water and methanol: a graph theory approach

Physical chemistry chemical physics : PCCP, 2013, Vol.15 (36), p.15163-15171

2013

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Structural determinants of ligand binding in the ternary complex of human ileal bile acid binding protein with glycocholate and glycochenodeoxycholate obtained from solution NMR

The FEBS journal, 2016-02, Vol.283 (3), p.541-555

2016

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Sodium-assisted formation of binding and traverse conformations of the substrate in a neurotransmitter sodium symporter model

Current drug discovery technologies, 2014-09, Vol.11 (3), p.227-233

2014

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How can we detect hydrogen bond local cooperativity in liquid water: A simulation study

Journal of molecular liquids, 2017-11, Vol.245, p.140-146

2017

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Bimolecular Reactions of Vibrationally Excited Molecules. Roaming Atom Mechanism at Low Kinetic Energies

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-05, Vol.116 (18), p.4445-4456

2012

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F1F0-ATP synthase functions as a co-chaperone of Hsp90-substrate protein complexes

Biochemical and biophysical research communications, 2006-06, Vol.345 (1), p.419-429

2006

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Major human γ-aminobutyrate transporter: In silico prediction of substrate efficacy

Biochemical and biophysical research communications, 2007-12, Vol.364 (4), p.952-958

2007

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Modeling the electron-impact dissociation of methane

The Journal of chemical physics, 2012-12, Vol.137 (22), p.22A510-22A510

2012

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Hydrogen bond network topology in liquid water and methanol: a graph theory approach

Physical chemistry chemical physics : PCCP, 2013-09, Vol.15 (36), p.15163-15171

2013

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Emerging the role of the structure of brain membrane targets recognizing glutamate

Current drug discovery technologies, 2008-03, Vol.5 (1), p.70-74

2008

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Substrate–Na + complex formation: Coupling mechanism for γ-aminobutyrate symporters

Biochemical and biophysical research communications, 2009-07, Vol.385 (2), p.210-214

2009

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Substrate-Na{sup +} complex formation: Coupling mechanism for {gamma}-aminobutyrate symporters

Biochemical and biophysical research communications, 2009-07, Vol.385 (2)

2009

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Reaction and complex formation between OH radical and acetone

Physical chemistry chemical physics : PCCP, 2001-01, Vol.3 (4), p.551-555

2001

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F 1 F 0-ATP synthase functions as a co-chaperone of Hsp90–substrate protein complexes

Biochemical and biophysical research communications, 2006, Vol.345 (1), p.419-429

2006

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Modeling the cluster formation during infrared and ultraviolet matrix-assisted laser desorption ionization of oligonucleotides in succinic acid matrix with molecular mechanics

Theoretical chemistry accounts, 2002-06, Vol.107 (6), p.319-325

2002

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Dynamics of hydrogen bonding and energy transfer in matrix-assisted laser desorption

Chemical physics letters, 1995-12, Vol.247 (1), p.142-148

1995

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Matrix-Guest Energy Transfer in Matrix-assisted Laser Desorption

Rapid communications in mass spectrometry, 1997-04, Vol.11 (6), p.679-682

1997

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Molecular dynamics study of active-site interactions with tetracoordinate transients in acetylcholinesterase and its mutants

Biochemical journal, 2001-02, Vol.353 (3), p.645-653

2001

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Molecular dynamics study of active-site interactions with tetracoordinate transients in acetylcholinesterase and its mutants

Biochemical journal, 2001-02, Vol.353 (Pt 3), p.645-653

2001

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Origins and Diversity of the Aging Reaction in Phosphonate Adducts of Serine Hydrolase Enzymes: What Characteristics of the Active Site do They Probe?

Biochemistry (Easton), 1995-07, Vol.34 (28), p.8989-8999

1995

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Probing the Active Site of Acetylcholinesterase by Molecular Dynamics of Its Phosphonate Ester Adducts

Journal of the American Chemical Society, 1996-09, Vol.118 (36), p.8531-8541

1996

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Enantioselective and Reversible Inhibition of Trypsin and .alpha.-Chymotrypsin by Phosphonate Esters

Biochemistry (Easton), 1994-07, Vol.33 (26), p.8128-8138

1994

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Efficient product clearance through exit channels in substrate hydrolysis by acetylcholinesterase

FEBS letters, 1994-07, Vol.349 (1), p.60-64

1994

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Parallelization of Reaction Dynamics Codes Using P-GRADE: A Case Study

Computational Science and Its Applications - ICCSA 2004, 2004, Vol.3044, p.290-299

2004

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Interactions in Tetravalent and Pentavalent Phosphonate Esters of Ser at the Active Site of Serine Enzymes

Phosphorus, sulfur, and silicon and the related elements, 1996-01, Vol.109 (1-4), p.249-252

1996

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Hydrogen bond network topology in liquid water and methanol: a graph theory approach

Structural determinants of ligand binding in the ternary complex of human ileal bile acid binding protein with glycocholate and glycochenodeoxycholate obtained from solution NMR

Sodium-assisted formation of binding and traverse conformations of the substrate in a neurotransmitter sodium symporter model

How can we detect hydrogen bond local cooperativity in liquid water: A simulation study

Bimolecular Reactions of Vibrationally Excited Molecules. Roaming Atom Mechanism at Low Kinetic Energies

F1F0-ATP synthase functions as a co-chaperone of Hsp90-substrate protein complexes

Major human γ-aminobutyrate transporter: In silico prediction of substrate efficacy

Modeling the electron-impact dissociation of methane

Hydrogen bond network topology in liquid water and methanol: a graph theory approach

Emerging the role of the structure of brain membrane targets recognizing glutamate

Substrate–Na + complex formation: Coupling mechanism for γ-aminobutyrate symporters

Substrate-Na{sup +} complex formation: Coupling mechanism for {gamma}-aminobutyrate symporters

Reaction and complex formation between OH radical and acetone

F 1 F 0-ATP synthase functions as a co-chaperone of Hsp90–substrate protein complexes

Modeling the cluster formation during infrared and ultraviolet matrix-assisted laser desorption ionization of oligonucleotides in succinic acid matrix with molecular mechanics

Dynamics of hydrogen bonding and energy transfer in matrix-assisted laser desorption

Matrix-Guest Energy Transfer in Matrix-assisted Laser Desorption

Molecular dynamics study of active-site interactions with tetracoordinate transients in acetylcholinesterase and its mutants

Molecular dynamics study of active-site interactions with tetracoordinate transients in acetylcholinesterase and its mutants

Origins and Diversity of the Aging Reaction in Phosphonate Adducts of Serine Hydrolase Enzymes: What Characteristics of the Active Site do They Probe?

Probing the Active Site of Acetylcholinesterase by Molecular Dynamics of Its Phosphonate Ester Adducts

Enantioselective and Reversible Inhibition of Trypsin and .alpha.-Chymotrypsin by Phosphonate Esters

Efficient product clearance through exit channels in substrate hydrolysis by acetylcholinesterase

Parallelization of Reaction Dynamics Codes Using P-GRADE: A Case Study

Interactions in Tetravalent and Pentavalent Phosphonate Esters of Ser at the Active Site of Serine Enzymes

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