89th Canadian Chemistry Conference Abstracts



Sunday AM

BM3CC-Highland 8

Computational Methods in Drug Design (Joint with PT) (joint with PT4)

Organizer(s) - Donald Weaver
Chair(s) - Donald Weaver, Jack Bikker

08:00 01216 Using Molecular Dynamics Simulation for the Treatment of Solvation and Protein Flexibility in Docking Sutherland‡ J.J., Robertson D.H., Erickson J., Vieth M.
08:40 00094 FITTED1.0: A Suite of Programs to Dock Ligands into Flexible and Solvated Macromolecules Moitessier N., Corbeil C.R., Englebienne P.
09:00 01221 An Improved Method For Ligand Receptor Docking: Application to Estrogen Receptor Shadnia H., Ziebell T., Wright J.S.
09:20 00529 A Molecular Dynamics Study of the Effect of the Met129[ Val Mutation on the Prion Protein LaPointe S.M., Boyd R.J., Weaver D.F.
10:00 00856 Group Fusion Similarity Searching and Reverse Fingerprint Fragment Scoring Williams‡ C.I.
10:40 00411 GLARE: A Method for Extremely Fast Rough Cut-to-Shape on Immense Virtual Combinatorial Libraries Truchon‡ J.-F., Bayly C.I.

Sunday PM

BM3CC-Highland 8

Computational Methods in Drug Design (Joint with PT) (joint with PT4)

Organizer(s) - Donald Weaver
Chair(s) - Donald Weaver, Jack Bikker

13:40 00937 Improving Hit Enrichment in Structure-Based Virtual Screening Using Interfacial Surface and Pharmacophore Filters Cross‡ J.B., Jalaie M., Narasimhan L.S., Domagala M., Bardouniotis E., Sharma V., Fiebig K.
14:20 00433 Practical Application of Integrated Virtual Screening Methods Bikker‡ J.A., Dunbar J.B., Jalaie M., Kirchhoff P., Mack D., Narasimhan L., Shanmugasundaram V.
15:20 01161 Computer-Aided Design of Anti-Amyloid Drugs for the Treatment of Alzheimer's Disease Barden‡ C.J., Carter M.D., Weaver D.F.
16:00 00369 Design and 'Virtual' Screening of Potent Peptidic bAmyloid Oligomerization Blocker Ligands Using Computer Aided Drug Design Techniques. Roy S., Rauk A.
16:20 01171 Computational Modelling of Enzymes: The Ability of Uracil Derivatives to Act as Pro-Drugs for b-Amino Acid Antiepileptogenic Agents Tiedje K.E., Weaver D.F.
16:40 00382 Determining Putative Pharmacophores for General Anaesthetics: A Molecular Modelling Study Campagna-Slater V., Weaver D.F.


Note: Both Scheduled and Unscheduled abstracts in this Symposium
are identified by Receipt (not Sequence) Number

Unscheduled Abstracts in this Symposium


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