A. Geoffrey Skillman

According to our database, A. Geoffrey Skillman authored at least 10 papers between 2001 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories.

She Zhang, Jeffrey P. Thompson, Junchao Xia, Anthony T. Bogetti, Forrest York, A. Geoffrey Skillman, Lillian T. Chong, David N. LeBard

J. Chem. Inf. Model., 2022

2018

SAMPL6 challenge results from _a predictions based on a general Gaussian process model.

Caitlin C. Bannan, David L. Mobley, A. Geoffrey Skillman

J. Comput. Aided Mol. Des., 2018

2014

Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK.

Benjamin A. Ellingson, Matthew T. Geballe, Stanislaw Wlodek, Christopher I. Bayly, A. Geoffrey Skillman, Anthony Nicholls

J. Comput. Aided Mol. Des., 2014

2012

SAMPL3: blinded prediction of host-guest binding affinities, hydration free energies, and trypsin inhibitors.

A. Geoffrey Skillman

J. Comput. Aided Mol. Des., 2012

2010

Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database.

Paul C. D. Hawkins, A. Geoffrey Skillman, Gregory L. Warren, Benjamin A. Ellingson, Matthew T. Stahl

J. Chem. Inf. Model., 2010

SAMPL2 challenge: prediction of solvation energies and tautomer ratios.

A. Geoffrey Skillman, Matthew T. Geballe, Anthony Nicholls

J. Comput. Aided Mol. Des., 2010

The SAMPL2 blind prediction challenge: introduction and overview.

Matthew T. Geballe, A. Geoffrey Skillman, Anthony Nicholls, J. Peter Guthrie, Peter J. Taylor

J. Comput. Aided Mol. Des., 2010

Analysis of SM8 and Zap TK calculations and their geometric sensitivity.

Benjamin A. Ellingson, A. Geoffrey Skillman, Anthony Nicholls

J. Comput. Aided Mol. Des., 2010

2008

How to do an evaluation: pitfalls and traps.

Paul C. D. Hawkins, Gregory L. Warren, A. Geoffrey Skillman, Anthony Nicholls

J. Comput. Aided Mol. Des., 2008

2001

DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases.

Todd J. A. Ewing, Shingo Makino, A. Geoffrey Skillman, Irwin D. Kuntz

J. Comput. Aided Mol. Des., 2001