Convergence Properties of Free-Energy Calculations - Alpha-Cyclodextrin Complexes as a Case-Study

Mark, AE, Vanhelden, SP, Smith, PE, Janssen, Lhm and Vangunsteren, WF (1994) Convergence Properties of Free-Energy Calculations - Alpha-Cyclodextrin Complexes as a Case-Study. Journal of the American Chemical Society, 116 14: 6293-6302. doi:10.1021/ja00093a032


Author Mark, AE
Vanhelden, SP
Smith, PE
Janssen, Lhm
Vangunsteren, WF
Title Convergence Properties of Free-Energy Calculations - Alpha-Cyclodextrin Complexes as a Case-Study
Journal name Journal of the American Chemical Society   Check publisher's open access policy
ISSN 0002-7863
Publication date 1994-07-01
Sub-type Article (original research)
DOI 10.1021/ja00093a032
Volume 116
Issue 14
Start page 6293
End page 6302
Total pages 10
Language eng
Keyword Molecular-Dynamics Simulations
Thermodynamic Integration
Aqueous-Solution
Hydroxybenzoic Acid
Crystalline Form
System
Errors
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 143 times in Thomson Reuters Web of Science Article | Citations
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Created: Thu, 04 Feb 2016, 01:06:04 EST by System User