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ORCIDA. Geoffrey Skillman
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Journal Articles
- 2022
[j11]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): 1891-1904 (2022)- 2018
- [j10]Caitlin C. Bannan, David L. Mobley, A. Geoffrey Skillman:
SAMPL6 challenge results from a predictions based on a general Gaussian process model. J. Comput. Aided Mol. Des. 32(10): 1165-117 (2018) - 2014
- [j9]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): 289-298 (2014) - 2012
- [j8]A. Geoffrey Skillman:
SAMPL3: blinded prediction of host-guest binding affinities, hydration free energies, and trypsin inhibitors. J. Comput. Aided Mol. Des. 26(5): 473-474 (2012) - 2010
- [j7]A. Geoffrey Skillman, Matthew T. Geballe, Anthony Nicholls:
SAMPL2 challenge: prediction of solvation energies and tautomer ratios. J. Comput. Aided Mol. Des. 24(4): 257-258 (2010) - [j6]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): 259-279 (2010) - [j5]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): 335-342 (2010) - [j4]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): 572-584 (2010) - 2008
- [j3]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): 179-190 (2008) - [j2]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): 191-192 (2008) - 2001
- [j1]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): 411-428 (2001)
Coauthor Index
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