(Q71749028)

English

Flexible matching of test ligands to a 3D pharmacophore using a molecular superposition force field: comparison of predicted and experimental conformations of inhibitors of three enzymes

scientific article published on 01 June 1995

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scholarly article

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561976%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

Flexible matching of test ligands to a 3D pharmacophore using a molecular superposition force field: comparison of predicted and experimental conformations of inhibitors of three enzymes (English)

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561976%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

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author name string

C McMartin

1

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561976%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

R S Bohacek

2

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Europe PubMed Central

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20 October 2019

publication date

1 June 1995

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561976%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

Journal of Computer - Aided Molecular Design

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561976%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

9

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561976%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

3

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20 October 2019

237-250

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PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561976%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

Crystallographic analysis of a complex between human immunodeficiency virus type 1 protease and acetyl-pepstatin at 2.0-A resolution

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Thiorphan and retro-thiorphan display equivalent interactions when bound to crystalline thermolysin

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A unique geometry of the active site of angiotensin-converting enzyme consistent with structure-activity studies

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Constrained search of conformational hyperspace

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure of a mercaptan-thermolysin complex illustrates mode of inhibition of zinc proteases by substrate-analogue mercaptans

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Binding of N-carboxymethyl dipeptide inhibitors to thermolysin determined by X-ray crystallography: a novel class of transition-state analogues for zinc peptidases

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Compare Conformer: a program for the rapid comparison of molecular conformers based on interatomic distances and torsion angles

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

X-ray analyses of aspartic proteinases. III Three-dimensional structure of endothiapepsin complexed with a transition-state isostere inhibitor of renin at 1.6 A resolution

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The Protein Data Bank: a computer-based archival file for macromolecular structures

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The hypothetical active site lattice. An approach to modelling active sites from data on inhibitor molecules

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

X-ray studies of aspartic proteinase-statine inhibitor complexes

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Binding of hydroxamic acid inhibitors to crystalline thermolysin suggests a pentacoordinate zinc intermediate in catalysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystallographic structural analysis of phosphoramidates as inhibitors and transition-state analogs of thermolysin

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Monte Carlo-minimization approach to the multiple-minima problem in protein folding

1 reference

https://pubmed.ncbi.nlm.nih.gov/7561976

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/BF00124455

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561976%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

DBLP publication ID

journals/jcamd/McMartinB95

1 reference

DBLP Dataset 2021-01-02

28 January 2021

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:7561976%20AND%20SRC:MED&resulttype=core&format=json

20 October 2019

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