A SARS-CoV-2 protein interaction map reveals targets for drug repurposing DE Gordon, GM Jang, M Bouhaddou, J Xu, K Obernier, KM White, ... Nature 583 (7816), 459-468, 2020 | 4046 | 2020 |
A hierarchical approach to all‐atom protein loop prediction MP Jacobson, DL Pincus, CS Rapp, TJF Day, B Honig, DE Shaw, ... Proteins: Structure, Function, and Bioinformatics 55 (2), 351-367, 2004 | 2061 | 2004 |
Dysregulated pH: a perfect storm for cancer progression BA Webb, M Chimenti, MP Jacobson, DL Barber Nature Reviews Cancer 11 (9), 671-677, 2011 | 1918 | 2011 |
Novel procedure for modeling ligand/receptor induced fit effects W Sherman, T Day, MP Jacobson, RA Friesner, R Farid Journal of medicinal chemistry 49 (2), 534-553, 2006 | 1893 | 2006 |
On the role of the crystal environment in determining protein side-chain conformations MP Jacobson, RA Friesner, Z Xiang, B Honig Journal of molecular biology 320 (3), 597-608, 2002 | 1137 | 2002 |
SIRT5 regulates the mitochondrial lysine succinylome and metabolic networks MJ Rardin, W He, Y Nishida, JC Newman, C Carrico, SR Danielson, ... Cell metabolism 18 (6), 920-933, 2013 | 555 | 2013 |
Testing the conformational hypothesis of passive membrane permeability using synthetic cyclic peptide diastereomers T Rezai, B Yu, GL Millhauser, MP Jacobson, RS Lokey Journal of the American Chemical Society 128 (8), 2510-2511, 2006 | 522 | 2006 |
SIRT3 deacetylates mitochondrial 3-hydroxy-3-methylglutaryl CoA synthase 2 and regulates ketone body production T Shimazu, MD Hirschey, L Hua, KE Dittenhafer-Reed, B Schwer, ... Cell metabolism 12 (6), 654-661, 2010 | 489 | 2010 |
Conformational flexibility, internal hydrogen bonding, and passive membrane permeability: successful in silico prediction of the relative permeabilities of cyclic peptides T Rezai, JE Bock, MV Zhou, C Kalyanaraman, RS Lokey, MP Jacobson Journal of the American Chemical Society 128 (43), 14073-14080, 2006 | 424 | 2006 |
On-resin N-methylation of cyclic peptides for discovery of orally bioavailable scaffolds TR White, CM Renzelman, AC Rand, T Rezai, CM McEwen, VM Gelev, ... Nature chemical biology 7 (11), 810-817, 2011 | 368 | 2011 |
A kinematic view of loop closure EA Coutsias, C Seok, MP Jacobson, KA Dill Journal of computational chemistry 25 (4), 510-528, 2004 | 318 | 2004 |
Intracellular pH sensors: design principles and functional significance J Srivastava, DL Barber, MP Jacobson Physiology, 2007 | 283 | 2007 |
Computer-aided antibody design D Kuroda, H Shirai, MP Jacobson, H Nakamura Protein engineering, design & selection 25 (10), 507-522, 2012 | 271 | 2012 |
Molecular mechanics methods for predicting protein–ligand binding N Huang, C Kalyanaraman, K Bernacki, MP Jacobson Physical Chemistry Chemical Physics 8 (44), 5166-5177, 2006 | 267 | 2006 |
Gasdermin D pore structure reveals preferential release of mature interleukin-1 S Xia, Z Zhang, VG Magupalli, JL Pablo, Y Dong, SM Vora, L Wang, ... Nature 593 (7860), 607-611, 2021 | 249 | 2021 |
Design of reversible, cysteine-targeted Michael acceptors guided by kinetic and computational analysis S Krishnan, RM Miller, B Tian, RD Mullins, MP Jacobson, J Taunton Journal of the American Chemical Society 136 (36), 12624-12630, 2014 | 243 | 2014 |
Quantifying correlations between allosteric sites in thermodynamic ensembles CL McClendon, G Friedland, DL Mobley, H Amirkhani, MP Jacobson Journal of chemical theory and computation 5 (9), 2486-2502, 2009 | 236 | 2009 |
Rescoring docking hit lists for model cavity sites: predictions and experimental testing AP Graves, DM Shivakumar, SE Boyce, MP Jacobson, DA Case, ... Journal of molecular biology 377 (3), 914-934, 2008 | 219 | 2008 |
Cell-permeable cyclic peptides from synthetic libraries inspired by natural products WM Hewitt, SSF Leung, CR Pye, AR Ponkey, M Bednarek, MP Jacobson, ... Journal of the American Chemical Society 137 (2), 715-721, 2015 | 216 | 2015 |
Cofilin is a pH sensor for actin free barbed end formation: role of phosphoinositide binding C Frantz, G Barreiro, L Dominguez, X Chen, R Eddy, J Condeelis, ... The Journal of cell biology 183 (5), 865-879, 2008 | 212 | 2008 |