Atom 1 (centre) Atom 2 (centre) Joint face in both atoms polyhedra Fig. 3. Voronoi face between two atoms;it lies midway in between Analysis of atom-atom.
Molecular modeling activities Caterina Arcangeli UTTMAT-DIAG Francesco Buonocore UTTMAT-SUP Massimo Celino UTTMAT-DIAG Roberto Grena UTTRIN-PCI Simone.
Molecular Modeling The compendium of methods for mimicking the behavior of molecules or molecular systems.
Protein Structure Refinement ─ a dynamic approach Biophysical Chemistry University of Groningen The Netherlands Hao Fan.
A typical experiment in a virtual space
Acknowledgements: Department of Energy, National Science Foundation
PuReMD : A Reactive ( ReaxFF ) Molecular Dynamics Package Hassan Metin Akgulta , Sagar Pandit , Joseph Fogarty, Ananth Grama [email protected].
Chemical Data and Computer-Aided Drug Discovery Mike Gilson School of Pharmacy [email protected] 2-0622.
PuReMD: A Reactive (ReaxFF) Molecular Dynamics Package Hassan Metin Akgulta, Sagar Pandit, Joseph Fogarty, Ananth Grama [email protected]. Acknowledgements:
Acknowledgements
