| 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 | 103 | 2021 |
| 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 | 100 | 2016 |
| 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 | 28 | 2023 |
| 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 | 26 | 2022 |
| 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 | 4 | 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 | 3 | 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 | 3 | 2023 |
| 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors CE Masse, JR Greenwood, S Mondal, J Xu, P Ghanakota, FM McRobb, ... US Patent 12,043,632, 2024 | 2 | 2024 |
| 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 | 2 | 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. 18/766,351, 2024 | | 2024 |
| 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 |
| 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 |
Phani GhanakotaSr. Principal Scientist, Schrodinger在 schrodinger.com 的电子邮件经过验证
