Efficient free energy calculations on small molecule host-guest systems—A combined linear interaction energy/one-step perturbation approach
Article first published online: 10 SEP 2008
Copyright © 2008 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 30, Issue 2, pages 212–221, 30 January 2009
How to Cite
Oostenbrink, C. (2009), Efficient free energy calculations on small molecule host-guest systems—A combined linear interaction energy/one-step perturbation approach. J. Comput. Chem., 30: 212–221. doi: 10.1002/jcc.21116
- Issue published online: 11 DEC 2008
- Article first published online: 10 SEP 2008
- Manuscript Accepted: 2 AUG 2008
- Manuscript Revised: 30 JUL 2008
- Manuscript Received: 27 JUN 2008
- Netherlands Organization for Scientific Research (VENI). Grant Number: 700.55.401
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