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Nicholas A Boyles
Nicholas A Boyles
Verified email at schrodinger.com
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Cited by
Year
WScore: a flexible and accurate treatment of explicit water molecules in ligand–receptor docking
RB Murphy, MP Repasky, JR Greenwood, I Tubert-Brohman, S Jerome, ...
Journal of medicinal chemistry 59 (9), 4364-4384, 2016
952016
Reliable and accurate solution to the induced fit docking problem for protein–ligand binding
EB Miller, RB Murphy, D Sindhikara, KW Borrelli, MJ Grisewood, F Ranalli, ...
Journal of Chemical Theory and Computation 17 (4), 2630-2639, 2021
802021
AutoDesigner, a de novo design algorithm for rapidly exploring large chemical space for lead optimization: Application to the design and synthesis of d-amino acid oxidase …
PH Bos, EM Houang, F Ranalli, AE Leffler, NA Boyles, VA Eyrich, Y Luria, ...
Journal of Chemical Information and Modeling 62 (8), 1905-1915, 2022
132022
Discovery of a potent and selective tyrosine kinase 2 inhibitor: TAK-279
S Leit, J Greenwood, S Carriero, S Mondal, R Abel, M Ashwell, ...
Journal of Medicinal Chemistry 66 (15), 10473-10496, 2023
72023
6-heteroaryloxy benzimidazoles and azabenzimidazoles as jak2 inhibitors
CE Masse, JR Greenwood, S Mondal, J Xu, P Ghanakota, FM McRobb, ...
US Patent App. 17/559,051, 2023
12023
Enumerable Libraries and Accessible Chemical Space in Drug Discovery
T Knehans, NA Boyles, PH Bos
Computational Drug Discovery: Methods and Applications 2, 315-336, 2024
2024
Allosteric chromenone inhibitors of phosphoinositide 3-kinase (pi3k) for the treatment of disease
ED Anderson, SD Aronow, NA Boyles, S Dawadi, ER Hickey, TC Irvin, ...
US Patent App. 18/486,620, 2024
2024
Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease
ED Anderson, SD Aronow, NA Boyles, X Chen, S Dawadi, ER Hickey, ...
US Patent 11,878,970, 2024
2024
Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease
ED Anderson, SD Aronow, NA Boyles, S Dawadi, ER Hickey, TC Irvin, ...
US Patent 11,873,295, 2024
2024
Heterocyclic pericondensed cdc7 kinase inhibitors for the treatment of cancer
X Huang, S Mondal, P Ghanakota, N Boyles, L Frye, A Levinson, ...
US Patent App. 18/025,465, 2023
2023
Allosteric chromenone inhibitors of phosphoinositide 3-kinase (pi3k) for the treatment of disease
ED Anderson, SD Aronow, NA Boyles, MK Dahlgren, F Shulu, ...
US Patent App. 18/302,573, 2023
2023
Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors
M Michino, A Beautrait, NA Boyles, A Nadupalli, A Dementiev, S Sun, ...
ACS Bio & Med Chem Au 3 (6), 507-515, 2023
2023
6-heteroaryloxy benzimidazoles and azabenzimidazoles as jak2 inhibitors
CE Masse, JR Greenwood, S Mondal, J Xu, P Ghanakota, FM McRobb, ...
US Patent App. 18/307,490, 2023
2023
6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors
CE Masse, JR Greenwood, S Mondal, J Xu, P Ghanakota, FM McRobb, ...
US Patent 11,691,963, 2023
2023
Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease
ED Anderson, SD Aronow, NA Boyles, MK Dahlgren, F Shulu, ...
US Patent 11,649,227, 2023
2023
Cyclic compounds and methods of using same
X Huang, S Mondal, P Ghanakota, N Boyles, L Frye, A Gerasyuto, ...
US Patent App. 17/781,559, 2023
2023
Allosteric chromenone inhibitors of phosphoinositide 3-kinase (pi3k) for the treatment of disease
ED Anderson, SD Aronow, NA Boyles, X Chen, S Dawadi, ER Hickey, ...
US Patent App. 17/734,745, 2023
2023
Discovery of potent, selective, and orally available WEE1 inhibitors that demonstrate increased DNA damage and mitosis in tumor cells leading to tumor regression in vivo
S Sun, S Silvergleid, AI Gerasyuto, J Wang, RD Pelletier, A Placzek, ...
Cancer Research 82 (12_Supplement), 2570-2570, 2022
2022
Discovery of novel CDC7 inhibitors that disrupt cell cycle dynamics and show anti-proliferative effects in cancer cells
L Tsvetkov, A Levinson, X Huang, S Mondal, J Bell, L Tang, R Pelletier, ...
Cancer Research 81 (13_Supplement), 1277-1277, 2021
2021
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