(Q52346352)

29 April 2018

title

PRO-LIGAND: an approach to de novo molecular design. 3. A genetic algorithm for structure refinement. (English)

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29 April 2018

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1

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author name string

D E Clark

2

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D Frenkel

3

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J Li

4

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C W Murray

5

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B Robson

6

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29 April 2018

B Waszkowycz

7

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29 April 2018

publication date

1 April 1995

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29 April 2018

Journal of Computer - Aided Molecular Design

published in

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29 April 2018

volume

9

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29 April 2018

issue

2

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29 April 2018

page(s)

139-148

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29 April 2018

SPROUT: recent developments in the de novo design of molecules

cites work

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Computer design of bioactive molecules: a method for receptor-based de novo ligand design

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HOOK: a program for finding novel molecular architectures that satisfy the chemical and steric requirements of a macromolecule binding site

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PRO_LIGAND: an approach to de novo molecular design. 2. Design of novel molecules from molecular field analysis (MFA) models and pharmacophores.

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De novo protein design using pairwise potentials and a genetic algorithm

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Confirmation of usefulness of a structure construction program based on three-dimensional receptor structure for rational lead generation.

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

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Reduced representation model of protein structure prediction: statistical potential and genetic algorithms

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

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SPROUT: a program for structure generation.

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

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Molecular recognition using a binary genetic search algorithm.

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Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinase

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GroupBuild: a fragment-based method for de novo drug design

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

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29 Computer-assisted rational drug design

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The NEWLEAD program: a new method for the design of candidate structures from pharmacophoric hypotheses.

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Genetically evolved receptor models: a computational approach to construction of receptor models.

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Genetic algorithms for protein folding simulations.

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Potential of genetic algorithms in protein folding and protein engineering simulations

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The Generation of a Unique Machine Description for Chemical Structures-A Technique Developed at Chemical Abstracts Service

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COCI

https://opencitations.net/index/coci/api/v1/citations/10.1021/C160017A018

7 November 2021

Identifiers

DOI

10.1007/BF00124404

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29 April 2018

journals/jcamd/WestheadCFLMRW95

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

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29 April 2018