Follow
Richard A. Lewis
Richard A. Lewis
Novartis, Basel
Verified email at novartis.com
Title
Cited by
Cited by
Year
Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy
JA Erickson, M Jalaie, DH Robertson, RA Lewis, M Vieth
Journal of medicinal chemistry 47 (1), 45-55, 2004
4772004
Three-dimensional pharmacophore methods in drug discovery
AR Leach, VJ Gillet, RA Lewis, R Taylor
Journal of medicinal chemistry 53 (2), 539-558, 2010
4312010
Drug design by machine learning: The use of inductive logic programming to model the structure-activity relationships of trimethoprim analogues binding to dihydrofolate reductase
RD King, S Muggleton, RA Lewis, MJ Sternberg
Proceedings of the national academy of sciences 89 (23), 11322-11326, 1992
3881992
The graphical representation of ADME-related molecule properties for medicinal chemists
TJ Ritchie, P Ertl, R Lewis
Drug Discovery Today 16 (1-2), 65-72, 2011
1872011
Design and NMR-based screening of LEF, a library of chemical fragments with different local environment of fluorine
A Vulpetti, U Hommel, G Landrum, R Lewis, C Dalvit
Journal of the American Chemical Society 131 (36), 12949-12959, 2009
1422009
Docking and scoring-theoretically easy, practically impossible?
B Coupez, RA Lewis
Current medicinal chemistry 13 (25), 2995-3003, 2006
1382006
Automated site-directed drug design using molecular lattices
RA Lewis, DC Roe, C Huang, TE Ferrin, R Langridge, ID Kuntz
Journal of molecular graphics 10 (2), 66-78, 1992
1331992
New methodology for profiling combinatorial libraries and screening sets: cleaning up the design process with HARPick
AC Good, RA Lewis
Journal of medicinal chemistry 40 (24), 3926-3936, 1997
1251997
Automated site-directed drug design: the concept of spacer skeletons for primary structure generation
RA Lewis, PM Dean
Proceedings of the Royal Society of London. B. Biological Sciences 236 (1283 …, 1989
1221989
Similarity measures for rational set selection and analysis of combinatorial libraries: the diverse property-derived (DPD) approach
RA Lewis, JS Mason, IM McLay
Journal of chemical information and computer sciences 37 (3), 599-614, 1997
1181997
Comparison of conformational analysis techniques to generate pharmacophore hypotheses using catalyst
R Kristam, VJ Gillet, RA Lewis, D Thorner
Journal of chemical information and modeling 45 (2), 461-476, 2005
1062005
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
Artificial intelligence in chemistry and drug design
N Brown, P Ertl, R Lewis, T Luksch, D Reker, N Schneider
Journal of Computer-Aided Molecular Design 34, 709-715, 2020
1012020
Automated site-directed drug design: the formation of molecular templates in primary structure generation
RA Lewis, PM Dean
Proceedings of the Royal Society of London. B. Biological Sciences 236 (1283 …, 1989
971989
A general method for exploiting QSAR models in lead optimization
RA Lewis
Journal of medicinal chemistry 48 (5), 1638-1648, 2005
882005
Current methods for site-directed structure generation
RA Lewis, AR Leach
Journal of computer-aided molecular design 8, 467-475, 1994
851994
In silico generation of novel, drug-like chemical matter using the LSTM neural network
P Ertl, R Lewis, E Martin, V Polyakov
arXiv preprint arXiv:1712.07449, 2017
762017
Molecular diversity in drug design
PM Dean, RA Lewis
Kluwer Academic Publishers, 1999
711999
Exploiting QSAR models in lead optimization.
P Gedeck, RA Lewis
Current opinion in drug discovery & development 11 (4), 569-575, 2008
672008
Automated site-directed drug design: approaches to the formation of 3D molecular graphs
RA Lewis
Journal of computer-aided molecular design 4 (2), 205-210, 1990
661990
The system can't perform the operation now. Try again later.
Articles 1–20