(Q33489905)

27 July 2017

Evaluating the performance of the ff99SB force field based on NMR scalar coupling data (English)

1 reference

27 July 2017

1 reference

Lauren Wickstrom

1

1 reference

27 July 2017

Asim Okur

series ordinal

2

1 reference

27 July 2017

Carlos Simmerling

series ordinal

3

1 reference

27 July 2017

language of work or name

English

0 references

publication date

1 August 2009

1 reference

27 July 2017

1 reference

27 July 2017

97

1 reference

27 July 2017

3

1 reference

27 July 2017

853-856

1 reference

Are current molecular dynamics force fields too helical?

27 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

Starting structure dependence of NMR order parameters derived from MD simulations: implications for judging force-field quality

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

Structure and dynamics of the Abeta(21-30) peptide from the interplay of NMR experiments and molecular simulations

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

Evaluating rotational diffusion from protein MD simulations

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

The unfolded state of the villin headpiece helical subdomain: computational studies of the role of locally stabilized structure

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

Conformation of the backbone in unfolded proteins.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

Polyproline II conformation is one of many local conformational states and is not an overall conformation of unfolded peptides and proteins.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

The Amber biomolecular simulation programs

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

Unusual compactness of a polyproline type II structure

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

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

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

Solvation free energies of amino acid side chain analogs for common molecular mechanics water models.

21 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

Polyproline II helix is the preferred conformation for unfolded polyalanine in water.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

Using PC clusters to evaluate the transferability of molecular mechanics force fields for proteins.

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

Structure and Dynamics of the Homologous Series of Alanine Peptides: A Joint Molecular Dynamics/NMR Study

31 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2718158

Quantitative Molecular Ensemble Interpretation of NMR Dipolar Couplings without Restraints

31 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19651043

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Toward Quantitative Interpretation of Methyl Side-Chain Dynamics from NMR by Molecular Dynamics Simulations

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19651043

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1016/J.BPJ.2009.04.063

1 reference

27 July 2017

1 reference

27 July 2017

1 reference