(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

PMC publication ID

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

PMC publication ID

2680024

18 August 2017

PubMed publication ID

18076032

1 reference

PMC publication ID

2680024