An Engineering Approach to Kinetic Inhibitor Design Using Molecular Dynamics Simulations
- 25 January 2000
- journal article
- Published by Wiley in Annals of the New York Academy of Sciences
- Vol. 912 (1) , 651-657
- https://doi.org/10.1111/j.1749-6632.2000.tb06820.x
Abstract
No abstract availableKeywords
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- DREIDING: a generic force field for molecular simulationsThe Journal of Physical Chemistry, 1990
- Iterative partial equalization of orbital electronegativity—a rapid access to atomic chargesTetrahedron, 1980