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Importance of Substrate and Cofactor Polarization in the Active Site of Dihydrofolate Reductase

Journal of molecular biology, 2003-03, Vol.327 (2), p.549-560

2003

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Ab initio calculation of the anisotropic/ring current effects of amino acid residues to locate the position of substrates in the binding site of enzymes

Journal of molecular structure, 2004-10, Vol.704 (1), p.79-82

2004

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On the induced-fit mechanism of substrate-enzyme binding structures of nylon-oligomer hydrolase

Journal of computational chemistry, 2014-06, Vol.35 (16), p.1240-1247

2014

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Investigating the effect of substrate binding on the catalytic activity of xylanase

Applied microbiology and biotechnology, 2023-11, Vol.107 (22), p.6873-6886

2023

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Enzyme free energy profiles: Can substrate binding be nonspontaneous? Can ground state interactions enhance catalysis?

Biophysical chemistry, 2021-07, Vol.274, p.106606-106606, Article 106606

Silverstein, Todd P.

2021

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Molecular structures and functional relationships in clostridial neurotoxins

The FEBS journal, 2011-12, Vol.278 (23), p.4467-4485

Swaminathan, Subramanyam

2011

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Thioredoxin reductase and its inhibitors

Current protein & peptide science, 2014-01, Vol.15 (6), p.621-646

2014

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Computational Redesign of Human Butyrylcholinesterase for Anticocaine Medication

Proceedings of the National Academy of Sciences - PNAS, 2005-11, Vol.102 (46), p.16656-16661

2005

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Crystal structures of aminotransferases Aro8 and Aro9 from Candida albicans and structural insights into their properties

Journal of structural biology, 2019-03, Vol.205 (3), p.26-33

2019

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Degradation of the starch components amylopectin and amylose by barley α-amylase 1: Role of surface binding site 2

Archives of biochemistry and biophysics, 2012-12, Vol.528 (1), p.1-6

2012

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How do substrates enter and products exit the buried active site of cytochrome P450cam? 1. Random expulsion molecular dynamics investigation of ligand access channels and mechanisms

Journal of molecular biology, 2000-11, Vol.303 (5), p.797

2000

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Mass Spectrometry-Guided Optimization and Characterization of a Biologically Active Transferrin–Lysozyme Model Drug Conjugate

Molecular pharmaceutics, 2013-05, Vol.10 (5), p.1998-2007

2013

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The crystal structure of glucose‐6‐phosphate isomerase from Leishmania mexicana reveals novel active site features

European journal of biochemistry, 2004-07, Vol.271 (13), p.2765-2772

2004

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Structural Milestones in the Reaction Pathway of an Amide Hydrolase: Substrate, Acyl, and Product Complexes of Cephalothin with AmpC β-Lactamase

Structure (London), 2002-03, Vol.10 (3), p.413-424

2002

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How do substrates enter and products exit the buried active site of cytochrome P450cam? 2. Steered molecular dynamics and adiabatic mapping of substrate pathways

Journal of molecular biology, 2000-11, Vol.303 (5), p.813-830

2000

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Crystallization of cytochromes P450 and substrate-enzyme interactions

Current topics in medicinal chemistry, 2004-01, Vol.4 (16), p.1789-1802

2004

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Predicting the functionally distinct residues in the heme, cation, and substrate-binding sites of peroxidase from stress-tolerant mangrove specie, Avicennia marina

Cell stress & chaperones, 2011-11, Vol.16 (6), p.585-605

2011

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Density functional studies on herpes simplex virus type 1 thymidine kinase-substrate interactions: The role of Tyr-172 and Met-128 in thymine fixation

Proteins, structure, function, and bioinformatics, 1998-06, Vol.31 (4), p.453-459

1998

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Substrate Recognition Mechanism of Thermophilic Dual-Substrate Enzyme

Journal of biochemistry (Tokyo), 2001-07, Vol.130 (1), p.89-98

2001

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The role of aspartate‐235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase

Protein science, 1995-09, Vol.4 (9), p.1844-1850

1995

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Substrate-enzyme interactions and catalytic mechanism in phospholipase C: A molecular modeling study using the GRID program

Proteins, structure, function, and bioinformatics, 1992-04, Vol.12 (4), p.331-338

1992

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SIMULATED (UN)BINDING OF ARACHIDONIC ACID IN THE CYCLOOXYGENASE SITE OF PROSTAGLANDIN H2 SYNTHASE-1

Progress in reaction kinetics and mechanism, 2000, Vol.25 (3), p.263-298

2000

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pH-induced change in nucleotide binding geometry in the ribonuclease T1-2'-guanylic acid complex: refinement of X-ray structure at 1.9 Å resolution

FEBS letters, 1985-02, Vol.181 (1), p.129-132

1985

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An exposed tyrosine residue of RNase T 1 and its involvement in the interaction with guanylic acid

FEBS letters, 1985-09, Vol.189 (2), p.167-170

1985

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pH‐induced change in nucleotide binding geometry in the ribonuclease T1‐2'‐guanylic acid complex

FEBS letters, 1985-02, Vol.181 (1), p.129-132

1985

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Importance of Substrate and Cofactor Polarization in the Active Site of Dihydrofolate Reductase

Ab initio calculation of the anisotropic/ring current effects of amino acid residues to locate the position of substrates in the binding site of enzymes

On the induced-fit mechanism of substrate-enzyme binding structures of nylon-oligomer hydrolase

Investigating the effect of substrate binding on the catalytic activity of xylanase

Enzyme free energy profiles: Can substrate binding be nonspontaneous? Can ground state interactions enhance catalysis?

Molecular structures and functional relationships in clostridial neurotoxins

Thioredoxin reductase and its inhibitors

Computational Redesign of Human Butyrylcholinesterase for Anticocaine Medication

Crystal structures of aminotransferases Aro8 and Aro9 from Candida albicans and structural insights into their properties

Degradation of the starch components amylopectin and amylose by barley α-amylase 1: Role of surface binding site 2

How do substrates enter and products exit the buried active site of cytochrome P450cam? 1. Random expulsion molecular dynamics investigation of ligand access channels and mechanisms

Mass Spectrometry-Guided Optimization and Characterization of a Biologically Active Transferrin–Lysozyme Model Drug Conjugate

The crystal structure of glucose‐6‐phosphate isomerase from Leishmania mexicana reveals novel active site features

Structural Milestones in the Reaction Pathway of an Amide Hydrolase: Substrate, Acyl, and Product Complexes of Cephalothin with AmpC β-Lactamase

How do substrates enter and products exit the buried active site of cytochrome P450cam? 2. Steered molecular dynamics and adiabatic mapping of substrate pathways

Crystallization of cytochromes P450 and substrate-enzyme interactions

Predicting the functionally distinct residues in the heme, cation, and substrate-binding sites of peroxidase from stress-tolerant mangrove specie, Avicennia marina

Density functional studies on herpes simplex virus type 1 thymidine kinase-substrate interactions: The role of Tyr-172 and Met-128 in thymine fixation

Substrate Recognition Mechanism of Thermophilic Dual-Substrate Enzyme

The role of aspartate‐235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase

Substrate-enzyme interactions and catalytic mechanism in phospholipase C: A molecular modeling study using the GRID program

SIMULATED (UN)BINDING OF ARACHIDONIC ACID IN THE CYCLOOXYGENASE SITE OF PROSTAGLANDIN H2 SYNTHASE-1

pH-induced change in nucleotide binding geometry in the ribonuclease T1-2'-guanylic acid complex: refinement of X-ray structure at 1.9 Å resolution

An exposed tyrosine residue of RNase T 1 and its involvement in the interaction with guanylic acid

pH‐induced change in nucleotide binding geometry in the ribonuclease T1‐2'‐guanylic acid complex

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