Molecular dynamics simulations of the docking of substituted N5-deazapterins to dihydrofolate reductase

Gorse, AD and Gready, JE (1997) Molecular dynamics simulations of the docking of substituted N5-deazapterins to dihydrofolate reductase. Protein Engineering, 10 1: 23-30. doi:10.1093/protein/10.1.23


Author Gorse, AD
Gready, JE
Title Molecular dynamics simulations of the docking of substituted N5-deazapterins to dihydrofolate reductase
Journal name Protein Engineering   Check publisher's open access policy
ISSN 0269-2139
Publication date 1997-01
Sub-type Article (original research)
DOI 10.1093/protein/10.1.23
Volume 10
Issue 1
Start page 23
End page 30
Total pages 8
Language eng
Keyword binding free energies
drug design
ligand docking
molecular dynamics simulation
simulated annealing
Monte-Carlo Docking
Crystal-Structure
Conformational-Changes
Structure Prediction
Substrate Mobility
Escherichia-Coli
Drug Design
Binding
Proteins
Protocols
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collection: ResearcherID Downloads
 
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Citation counts: TR Web of Science Citation Count  Cited 24 times in Thomson Reuters Web of Science Article | Citations
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Created: Mon, 25 Aug 2014, 10:41:45 EST by System User