(Q49177279)

English

Different approaches toward an automatic structural alignment of drug molecules: applications to sterol mimics, thrombin and thermolysin inhibitors

scientific article published in December 1994

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

18 February 2018

http://europepmc.org/abstract/MED/7738608

Different approaches toward an automatic structural alignment of drug molecules: applications to sterol mimics, thrombin and thermolysin inhibitors (English)

1 reference

Europe PubMed Central

PubMed publication ID

18 February 2018

http://europepmc.org/abstract/MED/7738608

1 reference

based on heuristic

inferred from title

author name string

G Klebe

1

1 reference

Europe PubMed Central

PubMed publication ID

18 February 2018

http://europepmc.org/abstract/MED/7738608

T Mietzner

2

1 reference

Europe PubMed Central

PubMed publication ID

18 February 2018

http://europepmc.org/abstract/MED/7738608

F Weber

3

1 reference

Europe PubMed Central

PubMed publication ID

18 February 2018

http://europepmc.org/abstract/MED/7738608

publication date

1 December 1994

1 reference

Europe PubMed Central

PubMed publication ID

18 February 2018

http://europepmc.org/abstract/MED/7738608

Journal of Computer - Aided Molecular Design

1 reference

Europe PubMed Central

PubMed publication ID

18 February 2018

http://europepmc.org/abstract/MED/7738608

8

1 reference

Europe PubMed Central

PubMed publication ID

18 February 2018

http://europepmc.org/abstract/MED/7738608

6

1 reference

Europe PubMed Central

PubMed publication ID

18 February 2018

http://europepmc.org/abstract/MED/7738608

751-778

1 reference

Europe PubMed Central

PubMed publication ID

18 February 2018

http://europepmc.org/abstract/MED/7738608

A fast and efficient method to generate biologically relevant conformations

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystallographic study of the binding of dipeptide inhibitors to thermolysin: implications for the mechanism of catalysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

pi-SCF-molecular mechanics PIMM: formulation, parameters, applications

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The stereochemistry of hydrogen elimination from C-7 in cholesterol and ergosterol biosynthesis

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

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/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A crystallographic study of the complex of phosphoramidon with thermolysin. A model for the presumed catalytic transition state and for the binding of extended substances

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

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/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The binding of L-valyl-L-tryptophan to crystalline thermolysin illustrates the mode of interaction of a product of peptide hydrolysis

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists.

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

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/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Computer-aided drug design

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automatic search for maximum similarity between molecular electrostatic potential distributions

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Automatic superposition of drug molecules based on their common receptor site

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure and energetics of ligand binding to proteins: Escherichia coli dihydrofolate reductase-trimethoprim, a drug-receptor system.

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The reversibility of the delta8-cholestenol-delta7-cholestenol isomerase reaction in cholesterol biosynthesis

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Regulation of thrombin generation and functions

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystallographic studies of angiotensin converting enzyme inhibitors and analysis of preferred zinc coordination geometry.

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

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/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The region of the thrombin receptor resembling hirudin binds to thrombin and alters enzyme specificity

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Geometry of binding of the N alpha-tosylated piperidides of m-amidino-, p-amidino- and p-guanidino phenylalanine to thrombin and trypsin. X-ray crystal structures of their trypsin complexes and modeling of their thrombin complexes

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

OVID and SUPER: Two overlap programs for drug design

1 reference

https://pubmed.ncbi.nlm.nih.gov/7738608

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of ...

1 reference

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00063A006

12 September 2021

Identifiers

10.1007/BF00124019

1 reference

Europe PubMed Central

PubMed publication ID

18 February 2018

http://europepmc.org/abstract/MED/7738608

DBLP publication ID

journals/jcamd/KlebeMW94

1 reference

DBLP Dataset 2021-01-02

28 January 2021

release_dnfizihkf5fa3gaha5sebwii3a

1 reference

https://api.fatcat.wiki/v0/release/dnfizihkf5fa3gaha5sebwii3a

24 November 2022

based on heuristic

mapped directly with Wikidata item

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

18 February 2018

http://europepmc.org/abstract/MED/7738608

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