|
8:00
|
Coffee & Rolls
|
|
8:30
|
Jack Snoeyink
Computational geometry in structural biology |
|
9:00
|
Robert-Paul Berretty
Using H-bonds
to determine binding configurations for PXR
|
|
9:25
|
Nayana Vaval
Theoretical investigations of transition metal ion-noble
gas cluster interactions |
|
9:50
|
Coffee Break |
|
|
Vijay Natarajan
Simplification
of 3-dimensional density maps |
|
10:45
|
Jeffrey
Roach
Local
squaring equations: real/reciprocal space duality |
|
11:10
|
Herbert Edelsbrunner
Weighted
area derivative formulas for implicit solvent representation |
|
11:35
|
Loren Looger
Computational methods for protein design
|
|
12:00
|
Lunch Break
|
|
|
|
12:30
|
Poster/Demo Session |
|
1:30
|
David
Hsu
and
Serkan Apaydin
Probabilistic roadmaps
for representing molecular motions |
|
1:55
|
Charlie Carter
Four-body statistical potentials: the interface with
thermodynamics |
|
2:20
|
Yusu Wang
Computing the writhing numbers of a polygon knot |
|
2:45
|
Herbert Edelsbrunner
Summary and highlights |
|
3:05
|
Executive Session |
|
3:30
|
Feedback |
|
4:00
|
Adjourn |
|
