| Protein flexibility in docking and surface mapping KW Lexa, HA Carlson Quarterly Reviews of Biophysics 45 (3), 301-343, 2012 | 163 | 2012 |
| Beyond cyclosporine A: conformation-dependent passive membrane permeabilities of cyclic peptide natural products CL Ahlbach, KW Lexa, AT Bockus, V Chen, P Crews, MP Jacobson, ... Future medicinal chemistry 7 (16), 2121-2130, 2015 | 162 | 2015 |
| CSAR benchmark exercise of 2010: selection of the protein–ligand complexes JB Dunbar Jr, RD Smith, CY Yang, PMU Ung, KW Lexa, NA Khazanov, ... Journal of chemical information and modeling 51 (9), 2036-2046, 2011 | 152 | 2011 |
| Probing the physicochemical boundaries of cell permeability and oral bioavailability in lipophilic macrocycles inspired by natural products AT Bockus, KW Lexa, CR Pye, AS Kalgutkar, JW Gardner, KCR Hund, ... Journal of Medicinal Chemistry 58 (11), 4581-4589, 2015 | 149 | 2015 |
| Full protein flexibility is essential for proper hot-spot mapping KW Lexa, HA Carlson Journal of the American Chemical Society 133 (2), 200-202, 2010 | 131 | 2010 |
| Structure of a peptidoglycan amidase effector targeted to Gram-negative bacteria by the type VI secretion system S Chou, NK Bui, AB Russell, KW Lexa, TE Gardiner, M LeRoux, ... Cell reports 1 (6), 656-664, 2012 | 114 | 2012 |
| De novo mutations in KIF1A cause progressive encephalopathy and brain atrophy S Esmaeeli Nieh, MRZ Madou, M Sirajuddin, B Fregeau, D McKnight, ... Annals of clinical and translational neurology 2 (6), 623-635, 2015 | 108 | 2015 |
| A Structure-Based Model for Predicting Serum Albumin Binding KW Lexa, E Dolghih, MP Jacobson PloS one 9 (4), e93323, 2014 | 84 | 2014 |
| Exhaustive conformational sampling of complex fused ring macrocycles using inverse kinematics EA Coutsias, KW Lexa, MJ Wester, SN Pollock, MP Jacobson Journal of chemical theory and computation 12 (9), 4674-4687, 2016 | 71 | 2016 |
| Identifying binding hot spots on protein surfaces by mixed‐solvent molecular dynamics: HIV‐1 protease as a test case PMU Ung, P Ghanakota, SE Graham, KW Lexa, HA Carlson Biopolymers 105 (1), 21-34, 2016 | 51 | 2016 |
| Structure–activity relationship and molecular mechanics reveal the importance of ring entropy in the biosynthesis and activity of a natural product HL Tran, KW Lexa, O Julien, TS Young, CT Walsh, MP Jacobson, ... Journal of the American Chemical Society 139 (7), 2541-2544, 2017 | 50 | 2017 |
| Ramachandran‐type plots for glycosidic linkages: Examples from molecular dynamic simulations using the Glycam06 force field AM Salisburg, AL Deline, KW Lexa, GC Shields, KN Kirschner Journal of computational chemistry 30 (6), 910-921, 2009 | 50 | 2009 |
| Parameter choice matters: validating probe parameters for use in mixed-solvent simulations KW Lexa, GB Goh, HA Carlson Journal of chemical information and modeling 54 (8), 2190-2199, 2014 | 41 | 2014 |
| Improving protocols for protein mapping through proper comparison to crystallography data KW Lexa, HA Carlson Journal of chemical information and modeling 53 (2), 391-402, 2013 | 41 | 2013 |
| Asymmetric hydrogen bonding catalysis for the synthesis of dihydroquinazoline-containing antiviral, letermovir CK Chung, Z Liu, KW Lexa, T Andreani, Y Xu, Y Ji, DA DiRocco, ... Journal of the American Chemical Society 139 (31), 10637-10640, 2017 | 37 | 2017 |
| Ticks resist skin commensals with immune factor of bacterial origin BM Hayes, AD Radkov, F Yarza, S Flores, J Kim, Z Zhao, KW Lexa, ... Cell 183 (6), 1562-1571. e12, 2020 | 33 | 2020 |
| Computational design and experimental discovery of an antiestrogenic peptide derived from α-fetoprotein KN Kirschner, KW Lexa, AM Salisburg, KA Alser, L Joseph, TT Andersen, ... Journal of the American Chemical Society 129 (19), 6263-6268, 2007 | 32 | 2007 |
| Combining traditional 2D and modern physical organic-derived descriptors to predict enhanced enantioselectivity for the key aza-Michael conjugate addition in the synthesis of … TT Metsänen, KW Lexa, CB Santiago, CK Chung, Y Xu, Z Liu, ... Chemical Science 9 (34), 6922-6927, 2018 | 28 | 2018 |
| A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions Yining Ji, Hongming Li, Alan M. Hyde, Qinghao Chen, Kevin M. Belyk, Katrina ... Chemical Science, 2017 | 26 | 2017 |
| “Site and mutation”-specific predictions enable minimal directed evolution libraries JC Moore, A Rodriguez-Granillo, A Crespo, S Govindarajan, M Welch, ... ACS Synthetic Biology 7 (7), 1730-1741, 2018 | 22 | 2018 |
Matthew JacobsonUCSFVerified email at ucsf.edu
