(Q34165729)

31 July 2017

Exploring challenges in rational enzyme design by simulating the catalysis in artificial kemp eliminase (English)

1 reference

31 July 2017

4

Arieh Warshel

1 reference

31 July 2017

1

Maria P Frushicheva

1 reference

31 July 2017

Jie Cao

2

1 reference

PubMed ID

20829491

31 July 2017

Zhen T Chu

series ordinal

3

1 reference

PubMed ID

20829491

31 July 2017

language of work or name

English

0 references

publication date

9 September 2010

1 reference

Proceedings of the National Academy of Sciences of the United States of America

31 July 2017

1 reference

31 July 2017

107

1 reference

31 July 2017

39

1 reference

31 July 2017

16869-16874

1 reference

At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?

31 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

Effective approach for calculations of absolute stability of proteins using focused dielectric constants

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

An aspartate and a water molecule mediate efficient acid-base catalysis in a tailored antibody pocket

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

A 21st century revisionist's view at a turning point in enzymology

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

Toward accurate screening in computer-aided enzyme design

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

Catalytic mechanism and performance of computationally designed enzymes for Kemp elimination

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

Kemp elimination catalysts by computational enzyme design

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

A new paradigm for electrostatic catalysis of radical reactions in vitamin B12 enzymes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

Minimalist active-site redesign: teaching old enzymes new tricks

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

Electrostatic basis for enzyme catalysis

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

Structural origins of efficient proton abstraction from carbon by a catalytic antibody

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

Why does the Ras switch "break" by oncogenic mutations?

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

Toward computer-aided site-directed mutagenesis of enzymes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2947920

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

5 July 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010381107

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010381107

QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010381107

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010381107

Physical organic chemistry of benzisoxazoles. II. Linearity of the Broensted free energy relation for the base-catalyzed decomposition of benzisoxazoles

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010381107

Large rate accelerations in antibody catalysis by strategic use of haptenic charge

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010381107

Electrostatic contributions to protein-protein binding affinities: application to Rap/Raf interaction

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010381107

Solute solvent dynamics and energetics in enzyme catalysis: the S(N)2 reaction of dehalogenase as a general benchmark.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010381107

On the energetics of ATP hydrolysis in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010381107

What about protein polarity?

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.1010381107

Computer-aided rational design of catalytic antibodies: The 1F7 case

21 January 2018

1 reference

12 December 2020

Computational enzymology: modelling the mechanisms of biological catalysts

1 reference

12 December 2020

On the magnitude and specificity of medium effects in enzyme-like catalysts for proton transfer

1 reference

12 December 2020

Synthesis and evaluation of a model for the so-called "charge-relay" system of the serine esterases

1 reference

12 December 2020

Semiquantitative calculations of catalytic free energies in genetically modified enzymes

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.1010381107

1 reference

31 July 2017

0 references

1 reference

31 July 2017

1 reference

PubMed ID

20829491