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Thermodynamic resolution: how do errors in modeled protein structures affect binding affinity predictions?

Academic Article
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Overview

authors

  • Singh, M. K.
  • Dominy, Brian

publication date

  • May 2010

journal

  • Proteins-Structure Function and Bioinformatics  Journal

subject areas

  • Crystallography, X-Ray
  • Models, Chemical
  • Molecular Dynamics Simulation
  • Protein Binding
  • Protein Conformation
  • Proteins
  • Structural Homology, Protein
  • Thermodynamics
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Research

keywords

  • MM-GBSA
  • RMSD
  • drug design
  • homology modeling
  • ligand binding
  • molecular dynamics
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Identity

International Standard Serial Number (ISSN)

  • 0887-3585

Digital Object Identifier (DOI)

  • 10.1002/prot.22691

PubMed ID

  • 20201067
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Additional Document Info

start page

  • 1613

end page

  • 1617

volume

  • 78

issue

  • 7

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