Molecular modeling and biocatalysis: explanations, predictions, limitations, and opportunities (Q33840417)

29 July 2017

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title

Molecular modeling and biocatalysis: explanations, predictions, limitations, and opportunities (English)

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29 July 2017

Kazlauskas RJ

1

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29 July 2017

1 February 2000

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Current Opinion in Chemical Biology

29 July 2017

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29 July 2017

4

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29 July 2017

1

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29 July 2017

81-88

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Molecular Basis for Enantioselectivity of Lipase from Pseudomonas cepacia toward Primary Alcohols. Modeling, Kinetics, and Chemical Modification of Tyr29 to Increase or Decrease Enantioselectivity.

29 July 2017

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Structural basis of the chiral selectivity of Pseudomonas cepacia lipase

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Stereochemistry of the chloroperoxidase active site: crystallographic and molecular-modeling studies.

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Antibody catalyzed cationic cyclization

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Structural basis for antibody catalysis of a disfavored ring closure reaction

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

A structural basis for enantioselective inhibition of Candida rugosa lipase by long-chain aliphatic alcohols

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Probing the substrate specificity for lipases. II. Kinetic and modeling studies on the molecular recognition of 2-arylpropionic esters by Candida rugosa and Rhizomucor miehei lipases

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Creation of a synthetically useful lipase with higher than wild-type enantioselectivity and maintained catalytic activity

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Rational design of Rhizopus oryzae lipase with modified stereoselectivity toward triradylglycerols

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Stereoselectivity of Mucorales lipases toward triradylglycerols--a simple solution to a complex problem

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

The substrate specificity of cytochrome P450cam

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Fidelity in Hapten Design: How Analogous Are Phosphonate Haptens to the Transition States for Alkaline Hydrolyses of Aryl Esters?

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Rationalization of the Enantioselectivity of Subtilisin in DMF

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

An analysis of current methodologies for conformational searching of complex molecules

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Simple conformation space search protocols for the evaluation of enantioselectivity of lipases

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Molecular modeling of the enantioselectivity in lipase-catalyzed transesterification reactions

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Computational Alchemy To Calculate Absolute Protein−Ligand Binding Free Energy

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Combinedab initioand Free Energy Calculations To Study Reactions in Enzymes and Solution: Amide Hydrolysis in Trypsin and Aqueous Solution

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Molecular-modeling calculations of enzymatic enantioselectivity taking hydration into account

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Application of structure-based thermodynamic calculations to the rationalization of the enantioselectivity of subtilisin in organic solvents

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Unexpected crucial role of residue 225 in serine proteases

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Mechanism of cyanogenesis: the crystal structure of hydroxynitrile lyase from Hevea brasiliensis

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Atomic resolution crystal structure of hydroxynitrile lyase from Hevea brasiliensis

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase fromhevea brasiliensis

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

Structure of an aromatic-ring-hydroxylating dioxygenase-naphthalene 1,2-dioxygenase

1 reference

https://api.crossref.org/works/10.1016%2FS1367-5931%2899%2900056-3

7 January 2021

10.1016/S1367-5931(99)00056-3

Identifiers

DOI

1 reference

29 July 2017

1 reference

PubMed ID

10679382