W Patrick Walters

23PUBLICATIONS
185CO-AUTHORS
Biomolecular modelling and designEmpirical software engineeringCheminformatics and quantitative structure-activity relationshipsSequence analysisBioinformatic methods development
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Publications (23)

|Oct 01, 2026
Structural Plasticity and Ligand Promiscuity of CYP3A4 Revealed by Cryo-EM.

|May 25, 2026
Mapping the avoid-ome: a systematic open-science approach to predictive ADMET.

|Mar 10, 2026
The Open Molecular Software Foundation (OMSF) and the Growing Role of Open Source Software in Molecular Modeling.

Karmen Čondić-Jurkić, Irfan Alibay, Woody Sherman

|Feb 06, 2026
Blind Challenges Let Us See the Path Forward for Predictive Models.

John D Chodera, W Patrick Walters, Sriram Kosuri

|Jan 21, 2026
CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2.

Oleksandra Herasymenko, Madhushika Silva, Galen J Correy

|Sep 11, 2025
Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug Discovery.

Jeremy R Ash, Cas Wognum, Raquel Rodríguez-Pérez

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Frequent Collaborators

6 joint publications

James S Fraser

4 joint publications

Matthieu Schapira

4 joint publications

Judith Günther

3 joint publications

Hartmut Beck