Modeling Ligand-Target Binding with Enhanced Sampling Simulations
Author:
Affiliation:
1. University College London; Department of Chemistry; 20 Gordon Street London WC1H 0AJ UK
2. University College London; Institute of Structural and Molecular Biology, Department of Chemistry; 20 Gordon street London WC1H 0AJ UK
Publisher
Wiley-VCH Verlag GmbH & Co. KGaA
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/9783527806836.ch3/fullpdf
Reference112 articles.
1. Phase transition for a hard sphere system;Alder;J. Chem. Phys.,1957
2. Studies in molecular dynamics. I. General method;Alder;J. Chem. Phys.,1959
3. Correlations in the motion of atoms in liquid argon;Rahman;Phys. Rev.,1964
4. Improved simulation of liquid water by molecular dynamics;Stillinger;J. Chem. Phys.,1974
5. Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme;Warshel;J. Mol. Biol.,1976
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