Using quantum mechanics to improve estimates of amino acid side chain rotamer energies (Q30366477)

18 August 2017

Using quantum mechanics to improve estimates of amino acid side chain rotamer energies (English)

1 reference

18 August 2017

1 reference

0 references

3

Brian Kuhlman

1 reference

18 August 2017

1

P Douglas Renfrew

1 reference

18 August 2017

2

Glenn L Butterfoss

1 reference

PMCID

2680024

18 August 2017

language of work or name

English

0 references

publication date

1 June 2008

1 reference

18 August 2017

1 reference

18 August 2017

71

1 reference

18 August 2017

4

1 reference

18 August 2017

1637-1646

1 reference

Computer-based design of novel protein structures

18 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

A new force field (ECEPP-05) for peptides, proteins, and organic molecules

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

Empirical force fields for biological macromolecules: overview and issues.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

Boltzmann-type distribution of side-chain conformation in proteins

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

PISCES: a protein sequence culling server

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

Rotamer libraries in the 21st century

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

The penultimate rotamer library

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

Comparative modeling of CASP3 targets using PSI-BLAST and SCWRL.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

Energy functions for protein design

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

Comparison of database potentials and molecular mechanics force fields

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

Tertiary templates for proteins. Use of packing criteria in the enumeration of allowed sequences for different structural classes

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

Importance of the CMAP correction to the CHARMM22 protein force field: dynamics of hen lysozyme

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

Improved treatment of the protein backbone in empirical force fields.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

Comparison of a QM/MM force field and molecular mechanics force fields in simulations of alanine and glycine "dipeptides" (Ace-Ala-Nme and Ace-Gly-Nme) in water in relation to the problem of modeling the unfolded peptide backbone in solution

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2680024

Empirical Protein Energy Maps

26 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18076032

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Energy minimizations of rubredoxin

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18076032

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Protein sidechain conformer prediction: a test of the energy function

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18076032

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1002/PROT.21845

1 reference

18 August 2017

1 reference

18 August 2017

1 reference

PMCID

2680024