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A Geoffrey Skillman

Showing results (1-10 of 15) with videos related to

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Journal of Computer-Aided Molecular Design|May 25, 2012
SAMPL3: blinded prediction of host-guest binding affinities, hydration free energies, and trypsin inhibitorsA Geoffrey Skillman
Journal of Computer-Aided Molecular Design|April 29, 2010
SAMPL2 challenge: prediction of solvation energies and tautomer ratiosA Geoffrey Skillman, Matthew T Geballe, Anthony Nicholls
Journal of Computer-Aided Molecular Design|May 1, 2010
Analysis of SM8 and Zap TK calculations and their geometric sensitivityBenjamin A Ellingson, A Geoffrey Skillman, Anthony Nicholls
Journal of Medicinal Chemistry|January 5, 2007
Comparison of shape-matching and docking as virtual screening toolsPaul C D Hawkins, A Geoffrey Skillman, Anthony Nicholls
Journal of Computer-Aided Molecular Design|October 17, 2018
SAMPL6 challenge results from <math> </math> predictions based on a general Gaussian process modelCaitlin C Bannan, David L Mobley, A Geoffrey Skillman
Journal of Computer-Aided Molecular Design|January 25, 2008
How to do an evaluation: pitfalls and trapsPaul C D Hawkins, Gregory L Warren, A Geoffrey Skillman, et al.
Journal of Computer-Aided Molecular Design|May 11, 2010
The SAMPL2 blind prediction challenge: introduction and overviewMatthew T Geballe, A Geoffrey Skillman, Anthony Nicholls, et al.
Journal of Chemical Information and Modeling|March 19, 2010
Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural DatabasePaul C D Hawkins, A Geoffrey Skillman, Gregory L Warren, et al.
Journal of Computer-Aided Molecular Design|March 18, 2014
Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TKBenjamin A Ellingson, Matthew T Geballe, Stanislaw Wlodek, et al.
Journal of Chemical Information and Modeling|April 14, 2022
Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of TrajectoriesShe Zhang, Jeff P Thompson, Junchao Xia, et al.
Pageof 2

Showing results (1-10 of 15) with videos related to

Sort By:
Pageof 2
Journal of Computer-Aided Molecular Design|May 25, 2012
SAMPL3: blinded prediction of host-guest binding affinities, hydration free energies, and trypsin inhibitorsA Geoffrey Skillman
Journal of Computer-Aided Molecular Design|April 29, 2010
SAMPL2 challenge: prediction of solvation energies and tautomer ratiosA Geoffrey Skillman, Matthew T Geballe, Anthony Nicholls
Journal of Computer-Aided Molecular Design|May 1, 2010
Analysis of SM8 and Zap TK calculations and their geometric sensitivityBenjamin A Ellingson, A Geoffrey Skillman, Anthony Nicholls
Journal of Medicinal Chemistry|January 5, 2007
Comparison of shape-matching and docking as virtual screening toolsPaul C D Hawkins, A Geoffrey Skillman, Anthony Nicholls
Journal of Computer-Aided Molecular Design|October 17, 2018
SAMPL6 challenge results from <math> </math> predictions based on a general Gaussian process modelCaitlin C Bannan, David L Mobley, A Geoffrey Skillman
Journal of Computer-Aided Molecular Design|January 25, 2008
How to do an evaluation: pitfalls and trapsPaul C D Hawkins, Gregory L Warren, A Geoffrey Skillman, et al.
Journal of Computer-Aided Molecular Design|May 11, 2010
The SAMPL2 blind prediction challenge: introduction and overviewMatthew T Geballe, A Geoffrey Skillman, Anthony Nicholls, et al.
Journal of Chemical Information and Modeling|March 19, 2010
Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural DatabasePaul C D Hawkins, A Geoffrey Skillman, Gregory L Warren, et al.
Journal of Computer-Aided Molecular Design|March 18, 2014
Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TKBenjamin A Ellingson, Matthew T Geballe, Stanislaw Wlodek, et al.
Journal of Chemical Information and Modeling|April 14, 2022
Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of TrajectoriesShe Zhang, Jeff P Thompson, Junchao Xia, et al.
Pageof 2