| Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database PCD Hawkins, AG Skillman, GL Warren, BA Ellingson, MT Stahl Journal of chemical information and modeling 50 (4), 572-584, 2010 | 1605 | 2010 |
| Comparison of shape-matching and docking as virtual screening tools PCD Hawkins, AG Skillman, A Nicholls Journal of medicinal chemistry 50 (1), 74-82, 2007 | 1064 | 2007 |
| Conformer generation with OMEGA: learning from the data set and the analysis of failures PCD Hawkins, A Nicholls Journal of chemical information and modeling 52 (11), 2919-2936, 2012 | 438 | 2012 |
| Conformation generation: the state of the art PCD Hawkins Journal of chemical information and modeling 57 (8), 1747-1756, 2017 | 242 | 2017 |
| How to do an evaluation: pitfalls and traps PCD Hawkins, GL Warren, AG Skillman, A Nicholls Journal of computer-aided molecular design 22 (3), 179-190, 2008 | 185 | 2008 |
| Conformational sampling of macrocyclic drugs in different environments: can we find the relevant conformations? V Poongavanam, E Danelius, S Peintner, L Alcaraz, G Caron, ... ACS omega 3 (9), 11742-11757, 2018 | 87 | 2018 |
| Synthesis of stereochemically defined phosphonamidate-containing peptides: inhibitors for the HIV-1 proteinase NP Camp, PCD Hawkins, PB Hitchcock, D Gani Bioorganic & medicinal chemistry letters 2 (9), 1047-1052, 1992 | 68 | 1992 |
| Mechanism of metal-independent hydroxylation by Chromobacterium violaceum phenylalanine hydroxylase RT Carr, S Balasubramanian, PCD Hawkins, SJ Benkovic Biochemistry 34 (22), 7525-7532, 1995 | 51 | 1995 |
| SiteHopper-a unique tool for binding site comparison J Batista, PCD Hawkins, R Tolbert, MT Geballe Journal of Cheminformatics 6 (Suppl 1), P57, 2014 | 31 | 2014 |
| Alkylidenecarbene insertion into a nitrogen lone pair: An unexpected synthesis of dihydropyrroles from alkynyliodonium salts KS Feldman, PA Mingo, PCD Hawkins Heterocycles 51 (6), 1283-1294, 1999 | 31 | 1999 |
| Synthesis of peptide analogues containing phosphonamidate methyl ester functionality: HIV-1 proteinase inhibitors possessing unique cell uptake properties NP Camp, DA Perrey, D Kinchington, PCD Hawkins, D Gani Bioorganic & Medicinal Chemistry 3 (3), 297-312, 1995 | 28 | 1995 |
| The application of statistical methods to cognate docking: a path forward? PCD Hawkins, BP Kelley, GL Warren Journal of Chemical Information and Modeling 54 (5), 1339-1355, 2014 | 20 | 2014 |
| Synthesis of phosphaproline derivatives: A short overview AS Gazizov, AV Smolobochkin, RA Turmanov, MA Pudovik, AR Burilov, ... Synthesis 51 (18), 3397-3409, 2019 | 18 | 2019 |
| Ligand-based methods in GPCR computer-aided drug design PCD Hawkins, G Stahl Computational Methods for GPCR Drug Discovery, 365-374, 2018 | 14 | 2018 |
| Ligand-based design workflow P Hawkins, G Skillman | 7 | 2006 |
| Decisions with confidence: application to the conformation sampling of molecules in the solid state PCD Hawkins, S Wlodek Journal of Chemical Information and Modeling 60 (7), 3518-3533, 2020 | 6 | 2020 |
| A comparison of structure-based and shape-based tools for virtual screening PCD Hawkins Abstr Pap Am Chem S 231, 2006 | 5 | 2006 |
| Searching with statistics: Is pose prediction perfectible? P Hawkins ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 246, 2013 | 1 | 2013 |
| Unmasking the True Identity of Rapamycin’s Minor Conformer EB Crull, AN Jain, PCD Hawkins, AE Cleves, EI Graziani, RT Williamson Journal of Natural Products 86 (7), 1862-1869, 2023 | | 2023 |
| ENGINEERING POLYKETIDE MOLECULAR GLUES B Pang, E Crull, P Hawkins, J Wong, D Hansen, R Estrela, H Roth, ... 4th International Conference on Natural Product Discovery and Development in …, 2023 | | 2023 |
Gregory WarrenOsmo Labs在 osmo.ai 的电子邮件经过验证
Gregory WarrenOsmo Labs在 osmo.ai 的电子邮件经过验证
Benjamin A EllingsonAbbVie在 abbvie.com 的电子邮件经过验证