(Q30656461)

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Methodological developments and strategies for a fast flexible superposition of drug-size molecules

scientific article published in January 1999

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26 June 2017

Methodological developments and strategies for a fast flexible superposition of drug-size molecules (English)

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26 June 2017

Klebe G

1

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Mietzner T

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2

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Weber F

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3

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1 January 1999

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Journal of Computer - Aided Molecular Design

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13

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35-49

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1

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A fast and efficient method to generate biologically relevant conformations

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PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/10087498

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12 December 2020

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Molecular surface-volume and property matching to superpose flexible dissimilar molecules.

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10087498

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12 December 2020

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IsoStar: a library of information about nonbonded interactions

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PubMed

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https://pubmed.ncbi.nlm.nih.gov/10087498

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12 December 2020

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WHAT IF: a molecular modeling and drug design program

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https://pubmed.ncbi.nlm.nih.gov/10087498

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12 December 2020

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Structural analysis of a series of antiviral agents complexed with human rhinovirus 14.

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https://pubmed.ncbi.nlm.nih.gov/10087498

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12 December 2020

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MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry.

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12 December 2020

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

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12 December 2020

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

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12 December 2020

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

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https://pubmed.ncbi.nlm.nih.gov/10087498

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12 December 2020

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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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https://pubmed.ncbi.nlm.nih.gov/10087498

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12 December 2020

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DOI

10.1023/A:1008026702439

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26 June 2017

journals/jcamd/KlebeMW99

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DBLP Dataset 2021-01-02

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28 January 2021

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26 June 2017

(Q30656461)

Methodological developments and strategies for a fast flexible superposition of drug-size molecules

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