Restrained electrostatic potential atomic partial charges for condensed-phase simulations of carbohydrates (Q34314879)

1 August 2017

Restrained electrostatic potential atomic partial charges for condensed-phase simulations of carbohydrates (English)

1 reference

1 August 2017

R J Woods

1

1 reference

PubMed ID

25309012

1 August 2017

R Chappelle

series ordinal

2

1 reference

1 August 2017

1 August 2000

1 reference

Computational and Theoretical Chemistry

1 August 2017

1 reference

1 August 2017

527

1 reference

1 August 2017

1-3

1 reference

1 August 2017

149-156

1 reference

Relative energies of binding for antibody-carbohydrate-antigen complexes computed from free-energy simulations

1 August 2017

1 reference

PubMed Central

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4191892

The high degree of internal flexibility observed for an oligomannose oligosaccharide does not alter the overall topology of the molecule

6 July 2018

1 reference

PubMed Central

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4191892

NMR and molecular dynamics studies of the conformational epitope of the type III group B Streptococcus capsular polysaccharide and derivatives

6 July 2018

1 reference

PubMed Central

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4191892

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

6 July 2018

1 reference

Crossref

https://api.crossref.org/works/10.1016%2FS0166-1280%2800%2900487-5

inferred from DOI database lookup

7 January 2021

based on heuristic

Identifiers

DOI

10.1016/S0166-1280(00)00487-5

1 reference

1 August 2017

1 reference

1 August 2017

1 reference

PubMed ID

25309012