(Q36849738)

16 August 2017

Assessment of Semiempirical Quantum Mechanical Methods for the Evaluation of Protein Structures (English)

1 reference

16 August 2017

Andrew M Wollacott

1

1 reference

PMC publication ID

2523267

16 August 2017

Kenneth M Merz

series ordinal

2

1 reference

16 August 2017

1 January 2007

1 reference

Journal of Chemical Theory and Computation

16 August 2017

1 reference

16 August 2017

3

1 reference

16 August 2017

4

1 reference

16 August 2017

1609-1619

1 reference

Toward high-resolution de novo structure prediction for small proteins.

16 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

A decade of CASP: progress, bottlenecks and prognosis in protein structure prediction.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

An improved protein decoy set for testing energy functions for protein structure prediction.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Discrimination of native protein structures using atom-atom contact scoring

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Protein structure prediction in 2002.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Molecular dynamics in the endgame of protein structure prediction.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Free-energy calculations highlight differences in accuracy between X-ray and NMR structures and add value to protein structure prediction.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Effective energy functions for protein structure prediction.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Discrimination of the native from misfolded protein models with an energy function including implicit solvation

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Assembly of protein tertiary structures from fragments with similar local sequences using simulated annealing and Bayesian scoring functions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Energy functions that discriminate X-ray and near native folds from well-constructed decoys

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Principles that govern the folding of protein chains

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Development of a Parametrized Force Field To Reproduce Semiempirical Geometries.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Electron density redistribution accounts for half the cooperativity of alpha helix formation.

5 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

TASSER: an automated method for the prediction of protein tertiary structures in CASP6.

5 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

A quantum mechanics-based scoring function: study of zinc ion-mediated ligand binding.

5 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Identifying native-like protein structures using physics-based potentials

5 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Distinguishing native conformations of proteins from decoys with an effective free energy estimator based on the OPLS all-atom force field and the Surface Generalized Born solvent model

5 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2523267

Factors affecting the ability of energy functions to discriminate correct from incorrect folds

20 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18728758

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identification of native protein folds amongst a large number of incorrect models. The calculation of low energy conformations from potentials of mean force

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18728758

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/CT600325Q

1 reference

16 August 2017

1 reference

PMC publication ID

2523267

16 August 2017

PubMed publication ID

18728758

1 reference

PMC publication ID

2523267