Solvated ensemble averaging in the calculation of partial atomic charges (Q36002439)

11 August 2017

Solvated ensemble averaging in the calculation of partial atomic charges (English)

1 reference

11 August 2017

M Basma

1

1 reference

11 August 2017

S Sundara

2

1 reference

11 August 2017

D Calgan

3

1 reference

11 August 2017

T Vernali

4

1 reference

11 August 2017

R J Woods

5

1 reference

11 August 2017

language of work or name

1 reference

1 August 2001

1 reference

Journal of Computational Chemistry

11 August 2017

1 reference

11 August 2017

22

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11 August 2017

11

1 reference

11 August 2017

1125-1137

1 reference

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

11 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=1986576

Determinations of atomic partial charges for nucleic acid constituents from x-ray diffraction data. I. 2'-Deoxycytidine-5'-monophosphate

2 October 2017

1 reference

PubMed Central

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1986576

The development of versions 3 and 4 of the Cambridge Structural Database System

2 October 2017

1 reference

Crossref

https://api.crossref.org/works/10.1002%2FJCC.1072

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

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17882310

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1002/JCC.1072

1 reference

11 August 2017

journals/jcc/BasmaSCVW01

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

11 August 2017

1 reference