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Do active site conformations of small ligands correspond to low free-energy solution structures?

Academic Article
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Overview

authors

  • Vieth, Michal
  • Hirst, J. D.
  • Brooks III, C. L.

publication date

  • November 1998

journal

  • Journal of Computer-Aided Molecular Design  Journal

subject areas

  • Binding Sites
  • Ligands
  • Molecular Structure
  • Solutions
  • Static Electricity
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Research

keywords

  • anchor points
  • conformational search
  • ligand binding
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Identity

International Standard Serial Number (ISSN)

  • 0920-654X

Digital Object Identifier (DOI)

  • 10.1023/A:1008055202136

PubMed ID

  • 9879504
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Additional Document Info

start page

  • 563

end page

  • 572

volume

  • 12

issue

  • 6

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