| A critical assessment of docking programs and scoring functions GL Warren, CW Andrews, AM Capelli, B Clarke, J LaLonde, MH Lambert, ... Journal of medicinal chemistry 49 (20), 5912-5931, 2006 | 1958 | 2006 |
| Design of amidobenzimidazole STING receptor agonists with systemic activity JM Ramanjulu, GS Pesiridis, J Yang, N Concha, R Singhaus, SY Zhang, ... Nature 564 (7736), 439-443, 2018 | 629 | 2018 |
| Polyoxometalate HIV-1 protease inhibitors. A new mode of protease inhibition DA Judd, JH Nettles, N Nevins, JP Snyder, DC Liotta, J Tang, J Ermolieff, ... Journal of the American Chemical Society 123 (5), 886-897, 2001 | 443 | 2001 |
| Molecular shape and medicinal chemistry: a perspective A Nicholls, GB McGaughey, RP Sheridan, AC Good, G Warren, M Mathieu, ... Journal of medicinal chemistry 53 (10), 3862-3886, 2010 | 338 | 2010 |
| Antitumor activity of an allosteric inhibitor of centromere-associated protein-E KW Wood, L Lad, L Luo, X Qian, SD Knight, N Nevins, K Brejc, D Sutton, ... Proceedings of the National Academy of Sciences 107 (13), 5839-5844, 2010 | 237 | 2010 |
| Allosteric Wip1 phosphatase inhibition through flap-subdomain interaction AG Gilmartin, TH Faitg, M Richter, A Groy, MA Seefeld, MG Darcy, X Peng, ... Nature chemical biology 10 (3), 181-187, 2014 | 212 | 2014 |
| Druggability assessment of allosteric proteins by dynamics simulations in the presence of probe molecules A Bakan, N Nevins, AS Lakdawala, I Bahar Journal of chemical theory and computation 8 (7), 2435-2447, 2012 | 169 | 2012 |
| Molecular mechanics (MM4) calculations on conjugated hydrocarbons N Nevins, JH Lii, NL Allinger Journal of Computational Chemistry 17 (5‐6), 695-729, 1996 | 164 | 1996 |
| Molecular mechanics (MM4) calculations on alkenes N Nevins, K Chen, NL Allinger Journal of Computational Chemistry 17 (5‐6), 669-694, 1996 | 144 | 1996 |
| 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 | 135 | 2019 |
| ATP-competitive inhibitors of the mitotic kinesin KSP that function via an allosteric mechanism L Luo, CA Parrish, N Nevins, DE McNulty, AM Chaudhari, JD Carson, ... Nature chemical biology 3 (11), 722-726, 2007 | 126 | 2007 |
| Molecular mechanics (MM4) vibrational frequency calculations for alkenes and conjugated hydrocarbons N Nevins, NL Allinger Journal of Computational Chemistry 17 (5‐6), 730-746, 1996 | 104 | 1996 |
| The conformations of taxol in chloroform JP Snyder, N Nevins, DO Cicero, J Jansen Journal of the American Chemical Society 122 (4), 724-725, 2000 | 93 | 2000 |
| Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors DS Yamashita, RW Marquis, R Xie, SD Nidamarthy, HJ Oh, JU Jeong, ... Journal of medicinal chemistry 49 (5), 1597-1612, 2006 | 82 | 2006 |
| Discovery of novel cyanamide-based inhibitors of cathepsin C D Laine, M Palovich, B McCleland, E Petitjean, I Delhom, H Xie, J Deng, ... ACS medicinal chemistry letters 2 (2), 142-147, 2011 | 80 | 2011 |
| A test of the single-conformation hypothesis in the analysis of NMR data for small polar molecules: A force field comparison N Nevins, D Cicero, JP Snyder The Journal of Organic Chemistry 64 (11), 3979-3986, 1999 | 76 | 1999 |
| Crossover Point between Dialkoxy Disulfides (ROSSOR) and Thionosulfites ((RO)2SS): Prediction, Synthesis, and Structure E Zysman-Colman, N Nevins, N Eghbali, JP Snyder, DN Harpp Journal of the American Chemical Society 128 (1), 291-304, 2006 | 36 | 2006 |
| Calculated conformer energies for organic molecules with multiple polar functionalities are method dependent: Taxol (case study) A Lakdawala, M Wang, N Nevins, DC Liotta, D Rusinska-Roszak, ... BMC Chemical Biology 1, 1-8, 2001 | 32 | 2001 |
| Novel compounds J Callahan, J Boehm, A Cooper, S Livia, N Nevins, Z Wan, B Norton US Patent App. 11/388,968, 2006 | 29 | 2006 |
| Inherently hindered rotation about a disulfide bond JP Snyder, N Nevins, SL Tardif, DN Harpp Journal of the American Chemical Society 119 (51), 12685-12686, 1997 | 27 | 1997 |
Gregory WarrenOsmo Labs在 osmo.ai 的电子邮件经过验证
