| A combinatorial TIR1/AFB–Aux/IAA co-receptor system for differential sensing of auxin LIAC Villalobos, S Lee, C De Oliveira, A Ivetac, W Brandt, L Armitage, ... Nature Chemical Biology 8 (5), 477-485, 2012 | 626 | 2012 |
| Routine access to millisecond timescale events with accelerated molecular dynamics LCT Pierce, R Salomon-Ferrer, C Augusto F. de Oliveira, JA McCammon, ... Journal of Chemical Theory and Computation, 2012 | 507 | 2012 |
| Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire DA Ostrov, BJ Grant, YA Pompeu, J Sidney, M Harndahl, S Southwood, ... Proceedings of the National Academy of Sciences 109 (25), 9959-9964, 2012 | 486 | 2012 |
| Sampling of slow diffusive conformational transitions with accelerated molecular dynamics D Hamelberg, CAF de Oliveira, JA McCammon The Journal of chemical physics 127, 155102, 2007 | 274 | 2007 |
| POVME: an algorithm for measuring binding-pocket volumes JD Durrant, CAF de Oliveira, JA McCammon Journal of Molecular Graphics and Modelling 29 (5), 773-776, 2011 | 235 | 2011 |
| From sensors to silencers: Quinoline-and benzimidazole-sulfonamides as inhibitors for zinc proteases M Rouffet, CAF de Oliveira, Y Udi, A Agrawal, I Sagi, JA McCammon, ... Journal of the American Chemical Society 132 (24), 8232-8233, 2010 | 128 | 2010 |
| Antibacterial drug leads targeting isoprenoid biosynthesis W Zhu, Y Zhang, W Sinko, ME Hensler, J Olson, KJ Molohon, S Lindert, ... Proceedings of the National Academy of Sciences 110 (1), 123-128, 2013 | 127 | 2013 |
| Synthetic and theoretical studies on the reduction of electron withdrawing group conjugated olefins using the hantzsch 1, 4-dihydropyridine ester SJ Garden, CRW Guimarães, MB Corréa, CAF Oliveira, AC Pinto, ... The Journal of Organic Chemistry 68 (23), 8815-8822, 2003 | 109 | 2003 |
| Population based reweighting of scaled molecular dynamics W Sinko, Y Miao, CAF de Oliveira, JA McCammon The Journal of Physical Chemistry B 117 (42), 12759-12768, 2013 | 107 | 2013 |
| Coupling constant pH molecular dynamics with accelerated molecular dynamics SL Williams, CAF de Oliveira, JA McCammon Journal of chemical theory and computation 6 (2), 560-568, 2010 | 106 | 2010 |
| Enhanced lipid diffusion and mixing in accelerated molecular dynamics Y Wang, PRL Markwick, CAF de Oliveira, JA McCammon Journal of chemical theory and computation 7 (10), 3199-3207, 2011 | 72 | 2011 |
| Estimating kinetic rates from accelerated molecular dynamics simulations: Alanine dipeptide in explicit solvent as a case study CAF de Oliveira, D Hamelberg, JA McCammon The Journal of chemical physics 127, 175105, 2007 | 68 | 2007 |
| Coupling accelerated molecular dynamics methods with thermodynamic integration simulations CAF de Oliveira, D Hamelberg, JA McCammon Journal of chemical theory and computation 4 (9), 1516-1525, 2008 | 57 | 2008 |
| Applying molecular dynamics simulations to identify rarely sampled ligand‐bound conformational states of undecaprenyl pyrophosphate synthase, an antibacterial target W Sinko, C de Oliveira, S Williams, A Van Wynsberghe, JD Durrant, ... Chemical biology & drug design 77 (6), 412-420, 2011 | 55 | 2011 |
| On the application of accelerated molecular dynamics to liquid water simulations CAF de Oliveira, D Hamelberg, JA McCammon The journal of physical chemistry B 110 (45), 22695-22701, 2006 | 55 | 2006 |
| Thioamide hydroxypyrothiones supersede amide hydroxypyrothiones in potency against anthrax lethal factor A Agrawal, CAF de Oliveira, Y Cheng, JA Jacobsen, JA McCammon, ... Journal of medicinal chemistry 52 (4), 1063-1074, 2009 | 54 | 2009 |
| Inhibition of cathepsin B by Au (I) complexes: a kinetic and computational study SS Gunatilleke, CAF De Oliveira, JA McCammon, AM Barrios JBIC Journal of Biological Inorganic Chemistry 13, 555-561, 2008 | 52 | 2008 |
| Rigorous Free Energy Perturbation Approach to Estimating Relative Binding Affinities between Ligands with Multiple Protonation and Tautomeric States C de Oliveira, HS Yu, W Chen, R Abel, L Wang Journal of chemical theory and computation 15 (1), 424-435, 2019 | 48 | 2019 |
| w-REXAMD: A Hamiltonian replica exchange approach to improve free energy calculations for systems with kinetically trapped conformations M Arrar, CAF de Oliveira, M Fajer, W Sinko, JA McCammon Journal of chemical theory and computation 9 (1), 18-23, 2013 | 46 | 2013 |
| Large-Scale Conformational Changes of Trypanosoma cruzi Proline Racemase Predicted by Accelerated Molecular Dynamics Simulation CAF de Oliveira, BJ Grant, M Zhou, JA McCammon PLoS computational biology 7 (10), e1002178, 2011 | 43 | 2011 |
Prof. J. Andrew McCammonUniversity of California, San DiegoVerified email at ucsd.edu
