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Computational Science and Drug Discovery
by Andy McCammon
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01) Andy McCammon: Introduction
02) Andy McCammon: Molecular Dynamics Simulation of Proteins
03) Andy McCammon: Molecular Mechanics
04) Andy McCammon: Bonds and Bond Angle Potential
05) Andy McCammon: Dihedral Angles
06) Andy McCammon: Nonbonded Interactions
07) Andy McCammon: van der Waals Interactions
08) Andy McCammon: Liquid Argon Example
09) Andy McCammon: Electrostatic Interactions
10) Andy McCammon: Potential Gradients
11) Andy McCammon: Stability and Energy Minimization
12) Andy McCammon: Calculus of Molecular Dynamics
13) Andy McCammon: Temporal Evolution of Proteins
14) Andy McCammon: HIV and Aids Introduction
15) Andy McCammon: HIV-1 Enzyme Functions/Drug Development
16) Andy McCammon: Flexibility of Drug Targets
17) Andy McCammon: HIV-1 Protease
18) Andy McCammon: Protease Inhibitor Drugs and Death Prevention
19) Andy McCammon: Drug Discovery Method
20) Andy McCammon: FK506 Immunosuppressant
21) Andy McCammon: FK506 Structure Fluctuation
22) Andy McCammon: Free Energies of Binding
23) Andy McCammon: HIV Integrase Inhibition
24) Andy McCammon: Dimerization and Crystal Packing
25) Andy McCammon: Target Flexibiliity and Additional Binding Sites
26) Andy McCammon: Butterfly Compounds and Binding
27) Andy McCammon: Butterfly Compounds and Combating Drug Resistant Mutations
28) Andy McCammon: MK0518 in Clinical Trials
29) Andy McCammon: Metalloenzyme Inhibitors for Trypanosomiasis
30) Andy McCammon: Ribosomes and Supramolecular Drug Discovery
31) Andy McCammon: Structural Design at the Molecular Level
32) Andy McCammon: Acknowledgments