(Q35555046)

8 August 2017

title

Enantioselective enzymes by computational design and in silico screening (English)

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8 August 2017

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Hein J Wijma

1

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Siewert J Marrink

object named as

Siewert J Marrink

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David Baker

object named as

David Baker

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author name string

Robert J Floor

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8 August 2017

Sinisa Bjelic

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8 August 2017

Dick B Janssen

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8 August 2017

language of work or name

English

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publication date

4 February 2015

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Angewandte Chemie International Edition

8 August 2017

published in

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volume

54

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8 August 2017

issue

12

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8 August 2017

page(s)

3726-3730

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Computational design of enone-binding proteins with catalytic activity for the Morita-Baylis-Hillman reaction

8 August 2017

cites work

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Computational Design of an Enzyme Catalyst for a Stereoselective Bimolecular Diels-Alder Reaction

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Kemp elimination catalysts by computational enzyme design

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Computational design of an α-gliadin peptidase

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OptZyme: computational enzyme redesign using transition state analogues

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Computational redesign of a mononuclear zinc metalloenzyme for organophosphate hydrolysis

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Computational design of orthogonal nucleoside kinases

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Design and directed evolution of a dideoxy purine nucleoside phosphorylase

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Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates

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A smart library of epoxide hydrolase variants and the top hits for synthesis of (S)-β-blocker precursors.

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Deracemization of alpha-methylbenzylamine using an enzyme obtained by in vitro evolution

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Engineering the third wave of biocatalysis

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Directed evolution drives the next generation of biocatalysts

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Creation of a pair of stereochemically complementary biocatalysts.

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Manipulating the Stereoselectivity of Limonene Epoxide Hydrolase by Directed Evolution Based on Iterative Saturation Mutagenesis

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Computationally designed libraries for rapid enzyme stabilization

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Design of protein catalysts

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Computational enzyme design

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De novo enzyme design using Rosetta3

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Computational design gains momentum in enzyme catalysis engineering

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Comparison of random mutagenesis and semi-rational designed libraries for improved cytochrome P450 BM3-catalyzed hydroxylation of small alkanes

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Engineering enzyme specificity using computational design of a defined-sequence library

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Structure of Rhodococcus erythropolis limonene-1,2-epoxide hydrolase reveals a novel active site

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Quantum chemistry as a tool in asymmetric biocatalysis: limonene epoxide hydrolase test case

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Scientific benchmarks for guiding macromolecular energy function improvement

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Trading accuracy for speed: A quantitative comparison of search algorithms in protein sequence design

21 January 2018

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Optimization of the In-Silico-Designed Kemp Eliminase KE70 by Computational Design and Directed Evolution

21 January 2018

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Iterative approach to computational enzyme design

21 January 2018

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The influence of protein dynamics on the success of computational enzyme design

21 January 2018

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Structural Analyses of Covalent Enzyme–Substrate Analog Complexes Reveal Strengths and Limitations of De Novo Enzyme Design

21 January 2018

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The near attack conformation approach to the study of the chorismate to prephenate reaction

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Reaction mechanism of soluble epoxide hydrolase: insights from molecular dynamics simulations

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A generic program for multistate protein design

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How protein stability and new functions trade off

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21 January 2018

Identifiers

DOI

10.1002/ANIE.201411415

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8 August 2017

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