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Patrick Walters
Patrick Walters
Relay Therapeutics
Verified email at relaytx.com
Title
Cited by
Cited by
Year
Virtual screening—an overview
WP Walters, MT Stahl, MA Murcko
Drug discovery today 3 (4), 160-178, 1998
14131998
Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins
PS Charifson, JJ Corkery, MA Murcko, WP Walters
Journal of medicinal chemistry 42 (25), 5100-5109, 1999
9541999
A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance
E Perola, WP Walters, PS Charifson
Proteins: Structure, Function, and Bioinformatics 56 (2), 235-249, 2004
6122004
Can we learn to distinguish between “drug-like” and “nondrug-like” molecules?
Ajay, WP Walters, MA Murcko
Journal of medicinal chemistry 41 (18), 3314-3324, 1998
5631998
Prediction of ‘drug-likeness’
WP Walters, MA Murcko
Advanced drug delivery reviews 54 (3), 255-271, 2002
5322002
Rethinking drug design in the artificial intelligence era
P Schneider, WP Walters, AT Plowright, N Sieroka, J Listgarten, ...
Nature Reviews Drug Discovery 19 (5), 353-364, 2020
5302020
Designing screens: how to make your hits a hit
WP Walters, M Namchuk
Nature reviews Drug discovery 2 (4), 259-266, 2003
4762003
What do medicinal chemists actually make? A 50-year retrospective
WP Walters, J Green, JR Weiss, MA Murcko
Journal of medicinal chemistry 54 (19), 6405-6416, 2011
3992011
Recognizing molecules with drug-like properties
WP Walters, AA Murcko, MA Murcko
Current opinion in chemical biology 3 (4), 384-387, 1999
3121999
Axial Ligand Orientation in Iron (III) Porphyrinates: Effect of Axial. pi.-Acceptors. Characterization of the Low-Spin Complex [Fe (TPP)(4-CNPy) 2] ClO4
MK Safo, FA Walker, AM Raitsimring, WP Walters, DP Dolata, ...
Journal of the American Chemical Society 116 (17), 7760-7770, 1994
2151994
D3R grand challenge 2015: evaluation of protein–ligand pose and affinity predictions
S Gathiaka, S Liu, M Chiu, H Yang, JA Stuckey, YN Kang, J Delproposto, ...
Journal of computer-aided molecular design 30, 651-668, 2016
2082016
Going further than Lipinski's rule in drug design
WP Walters
Expert opinion on drug discovery 7 (2), 99-107, 2012
2082012
D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies
Z Gaieb, S Liu, S Gathiaka, M Chiu, H Yang, C Shao, VA Feher, ...
Journal of computer-aided molecular design 32, 1-20, 2018
1932018
Acidic and basic drugs in medicinal chemistry: a perspective
PS Charifson, WP Walters
Journal of Medicinal Chemistry 57 (23), 9701-9717, 2014
1922014
Virtual chemical libraries: miniperspective
WP Walters
Journal of medicinal chemistry 62 (3), 1116-1124, 2018
1912018
Applications of deep learning in molecule generation and molecular property prediction
WP Walters, R Barzilay
Accounts of chemical research 54 (2), 263-270, 2020
1832020
Assessing the impact of generative AI on medicinal chemistry
WP Walters, M Murcko
Nature biotechnology 38 (2), 143-145, 2020
1612020
D3R Grand Challenge 3: blind prediction of protein–ligand poses and affinity rankings
Z Gaieb, CD Parks, M Chiu, H Yang, C Shao, WP Walters, MH Lambert, ...
Journal of computer-aided molecular design 33, 1-18, 2019
1262019
D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies
CD Parks, Z Gaieb, M Chiu, H Yang, C Shao, WP Walters, JM Jansen, ...
Journal of computer-aided molecular design 34, 99-119, 2020
1052020
Filtering databases and chemical libraries
PS Charifson, WP Walters
Journal of computer-aided molecular design 16 (5), 311-323, 2002
952002
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