Accuracy enhancement in the estimation of molecular hydration free energies by implementing the intramolecular hydrogen bond effects-Reference-Cited by-同舟云学术

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Accuracy enhancement in the estimation of molecular hydration free energies by implementing the intramolecular hydrogen bond effects

Published:2015-11-25 Issue:1 Volume:7 Page:
ISSN:1758-2946
Container-title:Journal of Cheminformatics
language:en
Short-container-title:J Cheminform

Author:

Chung Kee-Choo,Park Hwangseo

Funder

Ministry of Education, Science and Technology

Publisher

Springer Science and Business Media LLC

Subject

Library and Information Sciences,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Computer Science Applications

Link

http://link.springer.com/content/pdf/10.1186/s13321-015-0106-2.pdf

Reference30 articles.

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2. Lindström A, Edvinsson L, Johansson A, Andersson CD, Andersson IE, Raubacher F, Linusson A (2011) Postprocessing of docked protein-ligand complexes using implicit solvation models. J Chem Inf Model 51:267–282

3. Lipinski CA, Lombardo F, Dominy BW, Feeney PJ (1997) Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 23:3–25

4. Corbett PT, Leclaire J, Vial L, West KR, Wietor JL, Sanders JKM, Otto S (2006) Dynamic combinatorial chemistry. Chem Rev 106:3652–3711

5. Cougnon FBL, Sanders JKM (2012) Evolution of dynamic combinatorial chemistry. Acc Chem Res 45:2211–2221

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