Active-site-directed 3D database searching: Pharmacophore extraction and validation of hits (Q61833165)

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21 October 2019

title

Active-site-directed 3D database searching: pharmacophore extraction and validation of hits (English)

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21 October 2019

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2

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21 October 2019

author name string

D E Clark

series ordinal

1

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21 October 2019

R A Sykes

series ordinal

3

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21 October 2019

C W Murray

series ordinal

4

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21 October 2019

publication date

1 October 1996

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Journal of Computer - Aided Molecular Design

21 October 2019

published in

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21 October 2019

volume

10

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21 October 2019

issue

5

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21 October 2019

page(s)

397-416

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Identification of common functional configurations among molecules

21 October 2019

cites work

1 reference

12 December 2020

Structure-based strategies for drug design and discovery

1 reference

12 December 2020

MOLMAKER: de novo generation of 3D databases for use in drug design

1 reference

12 December 2020

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

1 reference

12 December 2020

Functionality map analysis of the active site cleft of human thrombin

1 reference

12 December 2020

Constrained search of conformational hyperspace

1 reference

12 December 2020

3D database searching in drug design

1 reference

12 December 2020

A genetic algorithm for flexible molecular overlay and pharmacophore elucidation.

1 reference

12 December 2020

PRO_LIGAND: an approach to de novo molecular design. 6. Flexible fitting in the design of peptides

1 reference

12 December 2020

Correlation of binding affinities with non-bonded interaction energies of thrombin-inhibitor complexes

1 reference

12 December 2020

Chem-X and CAMBRIDGE. Comparison of computer generated chemical structures with X-ray crystallographic data

1 reference

12 December 2020

Techniques for the calculation of three-dimensional structural similarity using inter-atomic distances

1 reference

12 December 2020

The discovery of novel, structurally diverse protein kinase C agonists through computer 3D-database pharmacophore search. Molecular modeling studies

1 reference

12 December 2020

CLIX: A search algorithm for finding novel ligands capable of binding proteins of known three‐dimensional structure

1 reference

12 December 2020

The computer program LUDI: a new method for the de novo design of enzyme inhibitors

1 reference

12 December 2020

A geometric approach to macromolecule-ligand interactions

1 reference

12 December 2020

Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure.

1 reference

12 December 2020

ALADDIN: an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures

1 reference

12 December 2020

A Monte Carlo pharmacophore generation procedure: application to the human PAF receptor

1 reference

12 December 2020

Protein targets for structure-based drug design

1 reference

12 December 2020

On the use of LUDI to search the Fine Chemicals Directory for ligands of proteins of known three-dimensional structure

1 reference

12 December 2020

Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation

1 reference

12 December 2020

Rational design of potent, bioavailable, nonpeptide cyclic ureas as HIV protease inhibitors

1 reference

12 December 2020

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

1 reference

12 December 2020

Evaluating docked complexes with the HINT exponential function and empirical atomic hydrophobicities.

1 reference

12 December 2020

Novel Angiotensin II Receptor Antagonists. Design, Synthesis, and in Vitro Evaluation of Dibenzo[a,d]cycloheptene and Dibenzo[b,f]oxepin Derivatives. Searching for Bioisosteres of Biphenyltetrazole Using a Three-Dimensional Search Technique

1 reference

12 December 2020

FLOG: a system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure

1 reference

12 December 2020

Structure-based inhibitor design by using protein models for the development of antiparasitic agents

1 reference

12 December 2020

Structure-based discovery of inhibitors of thymidylate synthase

1 reference

12 December 2020

Sampling conformational hyperspace: techniques for improving completeness.

1 reference

12 December 2020

PRO-LIGAND: an approach to de novo molecular design. 1. Application to the design of organic molecules

1 reference

12 December 2020

The ensemble approach to distance geometry: application to the nicotinic pharmacophore

1 reference

12 December 2020

LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads

1 reference

12 December 2020

Pharmacophoric pattern matching in files of three-dimensional chemical structures: use of bounded distance matrices for the representation and searching of conformationally flexible molecules

1 reference

12 December 2020

Orientational sampling and rigid-body minimization in molecular docking

1 reference

12 December 2020

A genetic algorithm for the automated generation of molecules within constraints.

1 reference

12 December 2020

Receptor surface models. 1. Definition and construction

1 reference

12 December 2020

Matching chemistry and shape in molecular docking

1 reference

12 December 2020

The use of composite crystal-field environments in molecular recognition and the de novo design of protein ligands

1 reference

12 December 2020

Computational methods to predict binding free energy in ligand-receptor complexes

1 reference

12 December 2020

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

1 reference

COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/CI00057A005

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 ...

11 September 2021

1 reference

COCI

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

12 September 2021

Identifiers

DOI

10.1007/BF00124472

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:8951650%20AND%20SRC:MED&resulttype=core&format=json

journals/jcamd/ClarkWSM96

21 October 2019

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference