(Q37165087)

18 August 2017

The empirical valence bond as an effective strategy for computer-aided enzyme design (English)

1 reference

Alexandra Vardi-Kilshtain

18 August 2017

series ordinal

1

object named as

Alexandra Vardi-Kilshtain

1 reference

18 August 2017

3

Arieh Warshel

1 reference

18 August 2017

2

Maite Roca

1 reference

18 August 2017

1 April 2009

1 reference

18 August 2017

Biotechnology Journal

1 reference

18 August 2017

4

1 reference

18 August 2017

4

1 reference

18 August 2017

495-500

1 reference

On the relationship between folding and chemical landscapes in enzyme catalysis

18 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Kemp elimination catalysts by computational enzyme design

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

De novo computational design of retro-aldol enzymes

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Structure and dynamics of a molten globular enzyme

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Selection and evolution of enzymes from a partially randomized non-catalytic scaffold

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Progress in computational protein design

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Minimalist active-site redesign: teaching old enzymes new tricks

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

DNA polymerase beta catalytic efficiency mirrors the Asn279-dCTP H-bonding strength

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Modeling electrostatic effects in proteins

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Electrostatic basis for enzyme catalysis

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Engineering of protease variants exhibiting high catalytic activity and exquisite substrate selectivity.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Computer simulations of protein functions: searching for the molecular origin of the replication fidelity of DNA polymerases

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

An enzymatic molten globule: efficient coupling of folding and catalysis.

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

De novo design of catalytic proteins

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Apparent NAC effect in chorismate mutase reflects electrostatic transition state stabilization

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Selective stabilization of the chorismate mutase transition state by a positively charged hydrogen bond donor

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Enzyme-like proteins by computational design

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

A strategically positioned cation is crucial for efficient catalysis by chorismate mutase

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

The monofunctional chorismate mutase from Bacillus subtilis. Structure determination of chorismate mutase and its complexes with a transition state analog and prephenate, and implications for the mechanism of the enzymatic reaction

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Toward computer-aided site-directed mutagenesis of enzymes

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Catalysis and linear free energy relationships in aspartic proteases

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Simulating the effect of DNA polymerase mutations on transition-state energetics and fidelity: evaluating amino acid group contribution and allosteric coupling for ionized residues in human pol beta

27 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Predicting an improvement of secondary catalytic activity of promiscuous isochorismate pyruvate lyase by computational design.

27 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Probing the two-metal ion mechanism in the restriction endonuclease BamHI.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Exhaustive mutagenesis of six secondary active-site residues in Escherichia coli chorismate mutase shows the importance of hydrophobic side chains and a helix N-capping position for stability and catalysis

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

The catalytic effect of dihydrofolate reductase and its mutants is determined by reorganization energies

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Electrostatic contributions to binding of transition state analogues can be very different from the corresponding contributions to catalysis: phenolates binding to the oxyanion hole of ketosteroid isomerase

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Ceramide kinase regulates growth and survival of A549 human lung adenocarcinoma cells

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671572

Free energy perturbation calculations on binding and catalysis after mutating Asn 155 in subtilisin

20 October 2018

1 reference

12 December 2020

Energetics of nucleophile activation in a protein tyrosine phosphatase

1 reference

12 December 2020

Computational enzymology: modelling the mechanisms of biological catalysts

1 reference

12 December 2020

Semiquantitative calculations of catalytic free energies in genetically modified enzymes

1 reference

12 December 2020

A new mixing of Hartree–Fock and local density‐functional theories

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIOT.200800299

Enhancing activity and controlling stereoselectivity in a designed PLP-dependent aldolase.

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIOT.200800299

Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIOT.200800299

The Empirical Valence Bond (EVB) Method

1 reference

11 October 2022

https://opencitations.net/index/coci/api/v1/references/10.1002/BIOT.200800299

Identifiers

DOI

10.1002/BIOT.200800299

1 reference

18 August 2017

1 reference

PMC publication ID

2671572

18 August 2017

PubMed publication ID

19229886

1 reference

PMC publication ID

2671572