LIBEFP: A new parallel implementation of the effective fragment potential method as a portable software library
Author:
Affiliation:
1. Department of Chemistry; Purdue University; 560 Oval Drive; West Lafayette; IN; 47907
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23375/fullpdf
Reference42 articles.
1. The Effective Fragment Potential Method: A QM-Based MM Approach to Modeling Environmental Effects in Chemistry
2. Fragmentation Methods: A Route to Accurate Calculations on Large Systems
3. A QM/MM approach with effective fragment potentials applied to the dipeptide–water structures
4. The Prediction of Protein pKa's Using QM/MM: The pKa of Lysine 55 in Turkey Ovomucoid Third Domain
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