D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings von Gaieb, Zied, Parks, Conor D., Chiu, Michael, Yang, Huanwang, Shao, Chenghua, Walters, W. Patrick, Lambert, Millard H., Nevins, Neysa, Bembenek, Scott D., Ameriks, Michael K., Mirzadegan, Tara, Burley, Stephen K., Amaro, Rommie E., Gilson, Michael K.

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Designing screens: how to make your hits a hit von Walters, W Patrick, Namchuk, Mark

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A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance von Perola, Emanuele, Walters, W. Patrick, Charifson, Paul S.

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Prediction of ‘drug-likeness’ von Walters, W.Patrick, Murcko, Mark A

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Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules? von Ajay, Walters, W. Patrick, Murcko, Mark A

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Consensus Scoring:  A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins von Charifson, Paul S, Corkery, Joseph J, Murcko, Mark A, Walters, W. Patrick

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Virtual screening : an overview von WALTERS, W. P, STAHL, M. T, MURCKO, M. A

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Recognizing molecules with drug-like properties von Walters, W Patrick, Murcko, Ajay A, Murcko, Mark A

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CORES:  An Automated Method for Generating Three-Dimensional Models of Protein/Ligand Complexes von Hare, Brian J, Walters, W. Patrick, Caron, Paul R, Bemis, Guy W

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Filtering databases and chemical libraries von Charifson, Paul S, Walters, W Patrick

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Extensions to the exact solution of the long-rod penetration/erosion equations von Segletes, Steven B., Walters, William P.

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A note on the application of the extended Bernoulli equation von Segletes, Steven B., Walters, William P.

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Filtering databases and chemical libraries von Charifson, Paul S, Walters, W Patrick

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On theories of the Grüneisen parameter von Segletes, Steven B., Walters, William P.

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Target strength effect on penetration by shaped charge jets von Gooch, W.A., Burkins, M.S., Walters, W.P., Kozhushko, A.A., Sinani, A.B.

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Rethinking drug design in the artificial intelligence era von Schneider, P, Walters, WP, Plowright, AT, Sieroka, N, Listgarten, J, Goodnow, RA, Fisher, J, Jansen, JM, Duca, JS, Rush, TS, Zentgraf, M, Hill, JE, Krutoholow, E, Kohler, M, Blaney, J, Funatsu, K, Luebkemann, C, Schneider, G

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Development of Molecular Mechanics Torsion Parameters for α,β-Cyclopropyl Ketones and Conformational Analysis of Bicyclo[m.1.0]alkan-2-ones von Mash, Eugene A, Gregg, Timothy M, Stahl, Matthew T, Walters, W. Patrick

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CLEW: The Generation of Pharmacophore Hypotheses Through Machine Learning von Dolata, D. P., Parrill, A. L., Walters, W. P.

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ESCHERA Computer Program for the Determination of External Rotational Symmetry Numbers from Molecular Topology von Walters, W. P, Yalkowsky, S. H

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An Analytical Model for the Particulation of a Jet from a shaped charge liner von Walters, William P., Summers, Richard L.

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