Inclusion of solvation free energy with molecular mechanics energy: Alanyl dipeptide as a test case (Q42842155)

8 November 2017

Inclusion of solvation free energy with molecular mechanics energy: alanyl dipeptide as a test case (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1304346

11 September 2022

Inclusion of solvation free energy with molecular mechanics energy: Alanyl dipeptide as a test case (English)

1 reference

https://api.crossref.org/works/10.1002/PRO.5560010311

28 November 2023

1 reference

https://api.crossref.org/works/10.1002/PRO.5560010311

28 November 2023

author name string

C. A. Schiffer

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1304346

11 September 2022

J. W. Caldwell

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1304346

11 September 2022

R. M. Stroud

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1304346

11 September 2022

P. A. Kollman

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1304346

11 September 2022

language of work or name

1 reference

1 March 1992

1 reference

PMCID

2142201

full work available at URL

8 November 2017

https://europepmc.org/articles/PMC2142201

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1304346

https://europepmc.org/articles/PMC2142201?pdf=render

11 September 2022

file format

Portable Document Format

online access status

open access

content deliverer

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1304346

https://europepmc.org/articles/pmc2142201?pdf=render

11 September 2022

file format

Portable Document Format

online access status

open access

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1304346

https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fpro.5560010311

28 November 2023

1 reference

https://api.crossref.org/works/10.1002/PRO.5560010311

https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.5560010311

28 November 2023

1 reference

https://api.crossref.org/works/10.1002/PRO.5560010311

28 November 2023

1 reference

8 November 2017

1

1 reference

8 November 2017

396-400

1 reference

8 November 2017

3

1 reference

Solvent accessible surface area and excluded volume in proteins. Analytical equations for overlapping spheres and implications for the hydrophobic effect.

8 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2142201

Conformational analysis of dipeptides in aqueous solution. II. Molecular structure of glycine and alanine dipeptides by depolarized rayleigh scattering and laser Raman spectroscopy

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2142201

Solvation energy in protein folding and binding

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2142201

Platelet glycoprotein IIb. Chromosomal localization and tissue expression

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2142201

Voiding dysfunction in patients with human T-lymphotropic virus type-1-associated myelopathy (HAM).

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2142201

Use of restrained molecular dynamics in water to determine three-dimensional protein structure: prediction of the three-dimensional structure of Ecballium elaterium trypsin inhibitor II

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2142201

Protein model structure evaluation using the solvation free energy of folding

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2142201

Prediction of homologous protein structures based on conformational searches and energetics.

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2142201

Atomic solvation parameters applied to molecular dynamics of proteins in solution

27 May 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2142201

Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis

27 May 2018

1 reference

https://api.crossref.org/works/10.1002%2FPRO.5560010311

Microfolding: Conformational probability map for the alanine dipeptide in water from molecular dynamics simulations

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/1304346

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Monte Carlo simulation of water behavior around the dipeptide N-acetylalanyl-N-methylamide

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/1304346

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Criteria that discriminate between native proteins and incorrectly folded models

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/1304346

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Semianalytical treatment of solvation for molecular mechanics and dynamics

21

1 reference

https://api.crossref.org/works/10.1002/PRO.5560010311

An all atom force field for simulations of proteins and nucleic acids

28 November 2023

22

1 reference

https://api.crossref.org/works/10.1002/PRO.5560010311

28 November 2023

Identifiers

1 reference

8 November 2017

1 reference

8 November 2017

1 reference

PMCID

2142201