The influence of protein dynamics on the success of computational enzyme design (Q34052254)

30 July 2017

title

The influence of protein dynamics on the success of computational enzyme design (English)

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30 July 2017

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computational biology

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Jory Z Ruscio

1

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30 July 2017

Jonathan E Kohn

series ordinal

2

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30 July 2017

K Aurelia Ball

series ordinal

3

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30 July 2017

Teresa Head-Gordon

series ordinal

4

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30 July 2017

language of work or name

English

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publication date

1 October 2009

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Journal of the American Chemical Society

30 July 2017

published in

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30 July 2017

volume

131

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30 July 2017

issue

39

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30 July 2017

page(s)

14111-14115

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Representative Amino Acid Side Chain Interactions in Proteins. A Comparison of Highly Accurate Correlated ab Initio Quantum Chemical and Empirical Potential Procedures

30 July 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

Catalytic mechanism and performance of computationally designed enzymes for Kemp elimination

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

Kemp elimination catalysts by computational enzyme design

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

De novo computational design of retro-aldol enzymes

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

Comparison of multiple Amber force fields and development of improved protein backbone parameters

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

De novo design of catalytic proteins

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

Development and testing of a general amber force field

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

Design of a Novel Globular Protein Fold with Atomic-Level Accuracy

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

Estimates of the ab initio limit for pi-pi interactions: the benzene dimer

28 July 2018

1 reference

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A view at the millennium: the efficiency of enzymatic catalysis

28 July 2018

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Enzyme-like proteins by computational design

28 July 2018

1 reference

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Aldol sensors for the rapid generation of tunable fluorescence by antibody catalysis

28 July 2018

1 reference

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Molecular orbital studies of enzyme activity. 2. Nucleophilic attack on carbonyl systems with comments on orbital steering

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

Effects of heteroatoms on aromatic pi-pi interactions: benzene-pyridine and pyridine dimer

28 July 2018

1 reference

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Computational design of enzymes

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

Nonspecific medium effects versus specific group positioning in the antibody and albumin catalysis of the base-promoted ring-opening reactions of benzisoxazoles

28 October 2018

1 reference

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Substituent effects in pi-pi interactions: sandwich and T-shaped configurations.

28 October 2018

1 reference

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

28 October 2018

1 reference

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De novo design of biocatalysts

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

Stacking and T-shape competition in aromatic-aromatic amino acid interactions

28 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

28 October 2018

Do-it-yourself enzymes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2918245

Solution NMR and computer simulation studies of active site loop motion in triosephosphate isomerase

28 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19788332

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Comparison of Quantum Mechanics and Molecular Mechanics Dimerization Energy Landscapes for Pairs of Ring-Containing Amino Acids in Proteins

1 reference

9 October 2024

https://opencitations.net/index/api/v1/citations/10.1021/JP037711E

Identifiers

DOI

10.1021/JA905396S

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30 July 2017

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30 July 2017

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