Automated site-directed drug design: an assessment of the transferability of atomic residual charges (CNDO) for molecular fragments (Q67558783)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:1403031%20AND%20SRC:MED&resulttype=core&format=json

15 September 2019

title

Automated site-directed drug design: an assessment of the transferability of atomic residual charges (CNDO) for molecular fragments (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:1403031%20AND%20SRC:MED&resulttype=core&format=json

15 September 2019

main subject

computer-aided design

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1403031

23 September 2022

author name string

P. L. Chau

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A1403031

23 September 2022

P. M. Dean

series ordinal

2

1 reference

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23 September 2022

language of work or name

English

1 reference

National Center for Biotechnology Information

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=1403031

23 September 2022

publication date

1 August 1992

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:1403031%20AND%20SRC:MED&resulttype=core&format=json

Journal of Computer - Aided Molecular Design

15 September 2019

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:1403031%20AND%20SRC:MED&resulttype=core&format=json

15 September 2019

volume

6

1 reference

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15 September 2019

issue

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:1403031%20AND%20SRC:MED&resulttype=core&format=json

15 September 2019

page(s)

407-426

1 reference

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https://scigraph.springernature.com/pub.10.1007/bf00125947

15 September 2019

exact match

0 references

cites work

Automated site-directed drug design: the generation of a basic set of fragments to be used for automated structure assembly

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/1403031

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Automated site-directed drug design: searches of the Cambridge Structural Database for bond lengths in molecular fragments to be used for automated structure assembly

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/1403031

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Charge calculations in molecular mechanics. Part 8. Partial atomic charges from classical calculations

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/1403031

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/BF00125947

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:1403031%20AND%20SRC:MED&resulttype=core&format=json

15 September 2019

DBLP publication ID

journals/jcamd/ChauD92b

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference