W. Patrick Walters
Orcid: 0000-0003-2860-7958
According to our database1,
W. Patrick Walters
authored at least 18 papers
between 1996 and 2024.
Collaborative distances:
Collaborative distances:
Timeline
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Bibliography
2024
Thompson Sampling─An Efficient Method for Searching Ultralarge Synthesis on Demand Databases.
J. Chem. Inf. Model., February, 2024
2022
J. Comput. Aided Mol. Des., 2022
Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator.
J. Comput. Aided Mol. Des., 2022
2020
D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 2020
2019
D3R Grand Challenge 3: blind prediction of protein-ligand poses and affinity rankings.
J. Comput. Aided Mol. Des., 2019
2018
D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J. Comput. Aided Mol. Des., 2018
2017
Modeling & Informatics at Vertex Pharmaceuticals Incorporated: our philosophy for sustained impact.
J. Comput. Aided Mol. Des., 2017
2016
Prediction of Protein Pairs Sharing Common Active Ligands Using Protein Sequence, Structure, and Ligand Similarity.
J. Chem. Inf. Model., 2016
D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.
J. Comput. Aided Mol. Des., 2016
2013
2012
2011
2010
SIML: A Fast SIMD Algorithm for Calculating LINGO Chemical Similarities on GPUs and CPUs.
J. Chem. Inf. Model., 2010
2002
1996
ESCHER-A Computer Program for the Determination of External Rotational Symmetry Numbers from Molecular Topology.
J. Chem. Inf. Comput. Sci., 1996