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Solvated Interaction Energy (SIE) for Scoring Protein–Ligand Binding Affinities. 2. Benchmark in the CSAR-2010 Scoring Exercise

Journal of chemical information and modeling, 2011-09, Vol.51 (9), p.2066-2081

2011

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Molecular Dynamics—Solvated Interaction Energy Studies of Protein–Protein Interactions: The MP1–p14 Scaffolding Complex

Journal of molecular biology, 2008-06, Vol.379 (4), p.787-802

2008

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Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase

Proceedings of the National Academy of Sciences - PNAS, 2011-01, Vol.108 (4), p.1302-1307

2011

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Structure of l-Xylulose-5-Phosphate 3-Epimerase (UlaE) from the Anaerobic l-Ascorbate Utilization Pathway of Escherichia coli: Identification of a Novel Phosphate Binding Motif within a TIM Barrel Fold

Journal of Bacteriology, 2008-12, Vol.190 (24), p.8137-8144

2008

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Structural and Functional Analysis of Campylobacter jejuni PseG

The Journal of biological chemistry, 2009-07, Vol.284 (31), p.20989-21000

2009

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Analysis of K+/Na+ selectivity of KcsA potassium channel with reference interaction site model theory

Molecular physics, 2005-01, Vol.103 (2-3), p.191-201

2005

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Solvation Structure, Thermodynamics, and Molecular Conformational Equilibria for n-Butane in Water Analyzed by Reference Interaction Site Model Theory Using an All-Atom Solute Model

The journal of physical chemistry. B, 2002-06, Vol.106 (25), p.6554-6565

2002

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K +/Na + selectivity of KcsA potassium channel analyzed by reference interaction site model (RISM) integral equation theory

Chemical physics letters, 2002-10, Vol.365 (1), p.110-116

2002

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Small-molecule inhibitors of the pseudaminic acid biosynthetic pathway: targeting motility as a key bacterial virulence factor

Antimicrobial agents and chemotherapy, 2014-12, Vol.58 (12), p.7430-7440

2014

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Molecular dynamics study of small molecule inhibitors of the Bcl-2 family

Proteins, structure, function, and bioinformatics, 2011-09, Vol.79 (9), p.2624-2636

2011

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Analysis of solvation structure and thermodynamics of ethane and propane in water by reference interaction site model theory using all-atom models

The Journal of chemical physics, 2001-08, Vol.115 (5), p.2228-2236

2001

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Catalytic Mechanism of Heparinase II Investigated by Site-directed Mutagenesis and the Crystal Structure with Its Substrate

The Journal of biological chemistry, 2010-06, Vol.285 (26), p.20051-20061

2010

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Contribution of Active Site Residues to Substrate Hydrolysis by USP2: Insights into Catalysis by Ubiquitin Specific Proteases

Biochemistry (Easton), 2011-05, Vol.50 (21), p.4775-4785

2011

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Trapping open and closed forms of FitE-A group III periplasmic binding protein

Proteins, structure, function, and bioinformatics, 2009-05, Vol.75 (3), p.598-609

2009

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Structural and Functional Analysis of Campylobacter jejuni PseG: A UDP-SUGAR HYDROLASE FROM THE PSEUDAMINIC ACID BIOSYNTHETIC PATHWAY

The Journal of biological chemistry, 2009-07, Vol.284 (31), p.20989-21000

2009

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High-Resolution Field-Cycling NMR Studies of a DNA Octamer as a Probe of Phosphodiester Dynamics and Comparison with Computer Simulation

Biochemistry (Easton), 2004-03, Vol.43 (12), p.3637-3650

2004

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O-Glycoside Orientation Is an Essential Aspect of Base J Recognition by the Kinetoplastid DNA-Binding Protein JBP1

Angewandte Chemie International Edition, 2007-01, Vol.46 (16), p.2839-2843

2007

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Voltammetric Measurement of Interfacial Acid/Base Reactions

The journal of physical chemistry. B, 1998-04, Vol.102 (16), p.2930-2934

1998

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O-Glycoside Orientation Is an Essential Aspect of BaseJ Recognition by the Kinetoplastid DNA-Binding Protein JBP1

Angewandte Chemie International Edition, 2007-04, Vol.46 (16), p.2839-2843

2007

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Solvation structure, thermodynamics, and conformational dependence of alanine dipeptide in aqueous solution analyzed with reference interaction site model theory

The Journal of chemical physics, 2003-01, Vol.118 (1), p.279-290

2003

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Inside Cover: O-Glycoside Orientation Is an Essential Aspect of Base J Recognition by the Kinetoplastid DNA-Binding Protein JBP1 (Angew. Chem. Int. Ed. 16/2007)

Angewandte Chemie International Edition, 2007-04, Vol.46 (16), p.2728-2728

2007

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O‐Glycoside Orientation Is an Essential Aspect of Base J Recognition by the Kinetoplastid DNA‐Binding Protein JBP1

Angewandte Chemie, 2007-04, Vol.119 (16), p.2897-2901

2007

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Innentitelbild: O-Glycoside Orientation Is an Essential Aspect of Base J Recognition by the Kinetoplastid DNA-Binding Protein JBP1 (Angew. Chem. 16/2007)

Angewandte Chemie, 2007-04, Vol.119 (16), p.2784-2784

2007

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Analysis of solvation structure and thermodynamics of methane in water by reference interaction site model theory using an all-atom model

The Journal of chemical physics, 2000-12, Vol.113 (22), p.10240-10245

2000

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Aqueous solvation from hydrocarbons to biomolecules: Microscopic approaches from reference interaction site model integral equation theory

Cui, Qizhi

2003

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Solvated Interaction Energy (SIE) for Scoring Protein–Ligand Binding Affinities. 2. Benchmark in the CSAR-2010 Scoring Exercise

Molecular Dynamics—Solvated Interaction Energy Studies of Protein–Protein Interactions: The MP1–p14 Scaffolding Complex

Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase

Structure of l-Xylulose-5-Phosphate 3-Epimerase (UlaE) from the Anaerobic l-Ascorbate Utilization Pathway of Escherichia coli: Identification of a Novel Phosphate Binding Motif within a TIM Barrel Fold

Structural and Functional Analysis of Campylobacter jejuni PseG

Analysis of K+/Na+ selectivity of KcsA potassium channel with reference interaction site model theory

Solvation Structure, Thermodynamics, and Molecular Conformational Equilibria for n-Butane in Water Analyzed by Reference Interaction Site Model Theory Using an All-Atom Solute Model

K +/Na + selectivity of KcsA potassium channel analyzed by reference interaction site model (RISM) integral equation theory

Small-molecule inhibitors of the pseudaminic acid biosynthetic pathway: targeting motility as a key bacterial virulence factor

Molecular dynamics study of small molecule inhibitors of the Bcl-2 family

Analysis of solvation structure and thermodynamics of ethane and propane in water by reference interaction site model theory using all-atom models

Catalytic Mechanism of Heparinase II Investigated by Site-directed Mutagenesis and the Crystal Structure with Its Substrate

Contribution of Active Site Residues to Substrate Hydrolysis by USP2: Insights into Catalysis by Ubiquitin Specific Proteases

Trapping open and closed forms of FitE-A group III periplasmic binding protein

Structural and Functional Analysis of Campylobacter jejuni PseG: A UDP-SUGAR HYDROLASE FROM THE PSEUDAMINIC ACID BIOSYNTHETIC PATHWAY

High-Resolution Field-Cycling NMR Studies of a DNA Octamer as a Probe of Phosphodiester Dynamics and Comparison with Computer Simulation

O-Glycoside Orientation Is an Essential Aspect of Base J Recognition by the Kinetoplastid DNA-Binding Protein JBP1

Voltammetric Measurement of Interfacial Acid/Base Reactions

O-Glycoside Orientation Is an Essential Aspect of BaseJ Recognition by the Kinetoplastid DNA-Binding Protein JBP1

Solvation structure, thermodynamics, and conformational dependence of alanine dipeptide in aqueous solution analyzed with reference interaction site model theory

Inside Cover: O-Glycoside Orientation Is an Essential Aspect of Base J Recognition by the Kinetoplastid DNA-Binding Protein JBP1 (Angew. Chem. Int. Ed. 16/2007)

O‐Glycoside Orientation Is an Essential Aspect of Base J Recognition by the Kinetoplastid DNA‐Binding Protein JBP1

Innentitelbild: O-Glycoside Orientation Is an Essential Aspect of Base J Recognition by the Kinetoplastid DNA-Binding Protein JBP1 (Angew. Chem. 16/2007)

Analysis of solvation structure and thermodynamics of methane in water by reference interaction site model theory using an all-atom model

Aqueous solvation from hydrocarbons to biomolecules: Microscopic approaches from reference interaction site model integral equation theory

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