A. Geoffrey Skillman

Publication Activity (10 Years)

Years Active: 2001-2022
Publications (10 Years): 2

Top Topics

Ensemble Learning

Mining Concept Drifting Data Streams

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Publications

She Zhang, Jeffrey P. Thompson, Junchao Xia, Anthony T. Bogetti, Forrest York, A. Geoffrey Skillman, Lillian T. Chong, David N. LeBard
Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories. J. Chem. Inf. Model. 62 (8) (2022)
Caitlin C. Bannan, David L. Mobley, A. Geoffrey Skillman
predictions based on a general Gaussian process model. J. Comput. Aided Mol. Des. 32 (10) (2018)
Benjamin A. Ellingson, Matthew T. Geballe, Stanislaw Wlodek, Christopher I. Bayly, A. Geoffrey Skillman, Anthony Nicholls
Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK. J. Comput. Aided Mol. Des. 28 (3) (2014)
A. Geoffrey Skillman
SAMPL3: blinded prediction of host-guest binding affinities, hydration free energies, and trypsin inhibitors. J. Comput. Aided Mol. Des. 26 (5) (2012)
Benjamin A. Ellingson, A. Geoffrey Skillman, Anthony Nicholls
Analysis of SM8 and Zap TK calculations and their geometric sensitivity. J. Comput. Aided Mol. Des. 24 (4) (2010)
A. Geoffrey Skillman, Matthew T. Geballe, Anthony Nicholls
SAMPL2 challenge: prediction of solvation energies and tautomer ratios. J. Comput. Aided Mol. Des. 24 (4) (2010)
Matthew T. Geballe, A. Geoffrey Skillman, Anthony Nicholls, J. Peter Guthrie, Peter J. Taylor
The SAMPL2 blind prediction challenge: introduction and overview. J. Comput. Aided Mol. Des. 24 (4) (2010)
Paul C. D. Hawkins, A. Geoffrey Skillman, Gregory L. Warren, Benjamin A. Ellingson, Matthew T. Stahl
Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database. J. Chem. Inf. Model. 50 (4) (2010)
Paul C. D. Hawkins, Gregory L. Warren, A. Geoffrey Skillman, Anthony Nicholls
How to do an evaluation: pitfalls and traps. J. Comput. Aided Mol. Des. 22 (3-4) (2008)
Paul C. D. Hawkins, Gregory L. Warren, A. Geoffrey Skillman, Anthony Nicholls
How to do an evaluation: pitfalls and traps. J. Comput. Aided Mol. Des. 22 (3-4) (2008)
Todd J. A. Ewing, Shingo Makino, A. Geoffrey Skillman, Irwin D. Kuntz
DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases. J. Comput. Aided Mol. Des. 15 (5) (2001)