A. Geoffrey Skillman
According to our database1,
A. Geoffrey Skillman
authored at least 11 papers
between 2001 and 2024.
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2020
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Bibliography
2024
Exploration of Cryptic Pockets Using Enhanced Sampling Along Normal Modes: A Case Study of KRAS <sup>G12D</sup>.
J. Chem. Inf. Model., 2024
2022
Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories.
J. Chem. Inf. Model., 2022
2018
SAMPL6 challenge results from <sub>a</sub> predictions based on a general Gaussian process model.
J. Comput. Aided Mol. Des., 2018
2014
Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK.
J. Comput. Aided Mol. Des., 2014
2012
SAMPL3: blinded prediction of host-guest binding affinities, hydration free energies, and trypsin inhibitors.
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.
J. Chem. Inf. Model., 2010
J. Comput. Aided Mol. Des., 2010
J. Comput. Aided Mol. Des., 2010
J. Comput. Aided Mol. Des., 2010
2008
2001
DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases.
J. Comput. Aided Mol. Des., 2001