Cesar de Oliveira
Cesar de Oliveira
Principal Scientist II - Schrodinger Inc.
Verified email at schrodinger.com
Title
Cited by
Cited by
Year
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
4952012
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
3672012
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
3522012
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
2252007
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
1952011
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
1042013
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
1012010
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
922010
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
902003
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
822013
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
642011
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
632007
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
532008
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
512009
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
482011
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 (4), 555-561, 2008
442008
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
432006
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
422013
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
342011
Including receptor flexibility and induced fit effects into the design of MMP‐2 inhibitors
JD Durrant, CAF de Oliveira, JA McCammon
Journal of Molecular Recognition 23 (2), 173-182, 2010
332010
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Articles 1–20