Patrick Walters
Patrick Walters
Relay Therapeutics
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Cited by
Cited by
Virtual screening—an overview
WP Walters, MT Stahl, MA Murcko
Drug discovery today 3 (4), 160-178, 1998
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
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
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
Designing screens: how to make your hits a hit
WP Walters, M Namchuk
Nature reviews Drug discovery 2 (4), 259-266, 2003
Prediction of ‘drug-likeness’
WP Walters, MA Murcko
Advanced drug delivery reviews 54 (3), 255-271, 2002
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
Recognizing molecules with drug-like properties
WP Walters, AA Murcko, MA Murcko
Current opinion in chemical biology 3 (4), 384-387, 1999
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
Virtual screening in drug discovery
J Alvarez, B Shoichet
CRC press, 2005
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 (9), 651-668, 2016
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), 1-20, 2018
Acidic and basic drugs in medicinal chemistry: a perspective
PS Charifson, WP Walters
Journal of medicinal chemistry 57 (23), 9701-9717, 2014
Going further than Lipinski's rule in drug design
WP Walters
Expert opinion on drug discovery 7 (2), 99-107, 2012
Filtering databases and chemical libraries
PS Charifson, WP Walters
Journal of computer-aided molecular design 16 (5-6), 311-323, 2002
Guiding molecules towards drug-likeness.
WJ Egan, WP Walters, MA Murcko
Current Opinion in Drug Discovery & Development 5 (4), 540-549, 2002
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), 1-18, 2019
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
Virtual chemical libraries: miniperspective
WP Walters
Journal of Medicinal Chemistry 62 (3), 1116-1124, 2018
Kinase chemogenomics: targeting the human kinome for target validation and drug discovery.
E ter Haar, WP Walters, S Pazhanisamy, P Taslimi, AC Pierce, GW Bemis, ...
Mini reviews in medicinal chemistry 4 (3), 235, 2004
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