(Q40931321)

25 September 2017

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title

Evolutionary algorithms in computer-aided molecular design (English)

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25 September 2017

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evolutionary algorithm

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author name string

D E Clark

series ordinal

1

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25 September 2017

D R Westhead

series ordinal

2

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25 September 2017

publication date

1 August 1996

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Journal of Computer - Aided Molecular Design

25 September 2017

published in

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25 September 2017

volume

10

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25 September 2017

issue

4

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25 September 2017

page(s)

337-358

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A new approach to the rapid determination of protein side chain conformations

25 September 2017

cites work

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Artificial neural networks and simulated molecular evolution are potential tools for sequence-oriented protein design.

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Flexible ligand docking using a genetic algorithm.

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Ligand—protein docking and rational drug design

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Molecular docking programs successfully predict the binding of a beta-lactamase inhibitory protein to TEM-1 beta-lactamase

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Optimization by Simulated Annealing

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An introduction to simulated evolutionary optimization.

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Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

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A graph-topological approach to recognition of pattern and similarity in RNA secondary structures.

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Nucleation, rapid folding, and globular intrachain regions in proteins

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MOPAC: a semiempirical molecular orbital program

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Evolutionary optimization in quantitative structure-activity relationship: an application of genetic neural networks

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Protein-folding dynamics

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

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Molecular recognition using a binary genetic search algorithm.

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De novo design of the hydrophobic cores of proteins

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The influence of a metastable structure in plasmid primer RNA on antisense RNA binding kinetics

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

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Approximation and characterization of molecular surfaces

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On constructing folding heteropolymers

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A pseudoreceptor modelling study of the varicella-zoster virus and human thymidine kinase binding sites.

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Receptor surface models. 1. Definition and construction

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Search strategies for applied molecular evolution

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A genetic algorithm based molecular modeling technique for RNA stem-loop structures

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Applications of combinatorial technologies to drug discovery. 2. Combinatorial organic synthesis, library screening strategies, and future directions

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Genetic algorithms for protein structure prediction

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Structure-activity relationships of antifilarial antimycin analogues: a multivariate pattern recognition study.

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Local moves: an efficient algorithm for simulation of protein folding.

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Optimal sequence selection in proteins of known structure by simulated evolution

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

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Characterising the geometric diversity of functional groups in chemical databases

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Genetic algorithms for protein folding simulations.

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The rational design of amino acid sequences by artificial neural networks and simulated molecular evolution: de novo design of an idealized leader peptidase cleavage site

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

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

The development of versions 3 and 4 of the Cambridge Structural Database System

11 September 2021

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COCI

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5 March 2023

Identifiers

DOI

10.1007/BF00124503

1 reference

25 September 2017

0 references

journals/jcamd/ClarkW96

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1001166989

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