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JCAMD
1998
44views more  JCAMD 1998»
13 years 7 months ago
The measurement of molecular diversity by receptor site interaction simulation
Camden A. Parks, Gordon M. Crippen, John G. Toplis...
JCAMD
2010
52views more  JCAMD 2010»
13 years 6 months ago
The SAMPL2 blind prediction challenge: introduction and overview
Matthew T. Geballe, A. Geoffrey Skillman, Anthony ...
JCAMD
2000
29views more  JCAMD 2000»
13 years 7 months ago
Deciphering common failures in molecular docking of ligand-protein complexes
Gennady Verkhivker, Djamal Bouzida, Daniel K. Gehl...
JCAMD
2010
34views more  JCAMD 2010»
13 years 6 months ago
SAMPL2 and continuum modeling
An account is given of our contributions to the SAMPL2 challenge for vacuum-water transfer energies. These contributions include different charge sets and radii used with Poissonâ€...
Anthony Nicholls, Stanislaw Wlodek, J. Andrew Gran...