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Computational enzymology
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scholarly article
1 reference
stated in
Europe PubMed Central
PubMed publication ID
11006542
retrieved
30 July 2017
review article
1 reference
stated in
Europe PubMed Central
title
Computational enzymology.
(English)
1 reference
stated in
Europe PubMed Central
PubMed publication ID
11006542
retrieved
30 July 2017
author name string
Bruice TC
series ordinal
1
1 reference
stated in
Europe PubMed Central
PubMed publication ID
11006542
retrieved
30 July 2017
Kahn K
series ordinal
2
1 reference
stated in
Europe PubMed Central
PubMed publication ID
11006542
retrieved
30 July 2017
publication date
1 October 2000
1 reference
stated in
Europe PubMed Central
PubMed publication ID
11006542
retrieved
30 July 2017
published in
Current Opinion in Chemical Biology
1 reference
stated in
Europe PubMed Central
PubMed publication ID
11006542
retrieved
30 July 2017
volume
4
1 reference
stated in
Europe PubMed Central
PubMed publication ID
11006542
retrieved
30 July 2017
issue
5
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stated in
Europe PubMed Central
PubMed publication ID
11006542
retrieved
30 July 2017
page(s)
540-544
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stated in
Europe PubMed Central
PubMed publication ID
11006542
retrieved
30 July 2017
cites work
Quantum mechanical calculations on biological systems
1 reference
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Crossref
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https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
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7 January 2021
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All-atom empirical potential for molecular modeling and dynamics studies of proteins
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
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7 January 2021
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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
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7 January 2021
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Active site dynamics of the HhaI methyltransferase: insights from computer simulation
1 reference
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Crossref
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https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
retrieved
7 January 2021
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Molecular Dynamics Simulations of Ground and Transition States for the Hydride Transfer from Formate to NAD+in the Active Site of Formate Dehydrogenase
1 reference
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Crossref
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https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
retrieved
7 January 2021
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Ground State and Transition State Contributions to the Rates of Intramolecular and Enzymatic Reactions
1 reference
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reference URL
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7 January 2021
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Chemical basis for enzyme catalysis
1 reference
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reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
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7 January 2021
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QM−FE and Molecular Dynamics Calculations on CatecholO-Methyltransferase: Free Energy of Activation in the Enzyme and in Aqueous Solution and Regioselectivity of the Enzyme-Catalyzed Reaction
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
retrieved
7 January 2021
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Transition-metal systems in biochemistry studied by high-accuracy quantum chemical methods
1 reference
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Crossref
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https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
retrieved
7 January 2021
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Correlated ab Initio Electronic Structure Calculations for Large Molecules
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
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7 January 2021
based on heuristic
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Combined quantum mechanical and molecular mechanical reaction pathway calculation for aromatic hydroxylation by p-hydroxybenzoate-3-hydroxylase
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
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7 January 2021
based on heuristic
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Modelling the catalytic reaction in human aldose reductase
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
retrieved
7 January 2021
based on heuristic
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Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
retrieved
7 January 2021
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Optimization of parameters for semiempirical methods I. Method
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
retrieved
7 January 2021
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Optimization of parameters for semiempirical methods II. Applications
1 reference
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retrieved
7 January 2021
based on heuristic
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Progress toward chemical accuracy in the computer simulation of condensed phase reactions.
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
retrieved
7 January 2021
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A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
1 reference
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Crossref
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retrieved
7 January 2021
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Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
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7 January 2021
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Combinedab initioand Free Energy Calculations To Study Reactions in Enzymes and Solution: Amide Hydrolysis in Trypsin and Aqueous Solution
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
retrieved
7 January 2021
based on heuristic
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Electrostatic stress in catalysis: Structure and mechanism of the enzyme orotidine monophosphate decarboxylase
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
retrieved
7 January 2021
based on heuristic
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Computer simulation of primary kinetic isotope effects in the proposed rate-limiting step of the glyoxalase I catalyzed reaction
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
How does GAP catalyze the GTPase reaction of Ras? A computer simulation study
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2800%2900129-0
retrieved
7 January 2021
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Identifiers
DOI
10.1016/S1367-5931(00)00129-0
1 reference
stated in
Europe PubMed Central
PubMed publication ID
11006542
retrieved
30 July 2017
PubMed publication ID
11006542
1 reference
stated in
Europe PubMed Central
PubMed publication ID
11006542
retrieved
30 July 2017
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