Raul Cachau
Raul Cachau
Director Structural Biochemistry
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Structure and inhibition of plasmepsin II, a hemoglobin-degrading enzyme from Plasmodium falciparum.
AM Silva, AY Lee, SV Gulnik, P Maier, J Collins, TN Bhat, PJ Collins, ...
Proceedings of the National Academy of Sciences 93 (19), 10034-10039, 1996
Ultrahigh resolution drug design I: Details of interactions in human aldose reductase–inhibitor complex at 0.66 Å
EI Howard, R Sanishvili, RE Cachau, A Mitschler, B Chevrier, P Barth, ...
Proteins: Structure, Function, and Bioinformatics 55 (4), 792-804, 2004
Crystal structures of native and inhibited forms of human cathepsin D: implications for lysosomal targeting and drug design.
ET Baldwin, TN Bhat, S Gulnik, MV Hosur, RC Sowder 2nd, RE Cachau, ...
Proceedings of the National Academy of Sciences 90 (14), 6796-6800, 1993
Towards a consensus on datasets and evaluation metrics for developing B‐cell epitope prediction tools
JA Greenbaum, PH Andersen, M Blythe, HH Bui, RE Cachau, J Crowe, ...
Journal of Molecular Recognition: An Interdisciplinary Journal 20 (2), 75-82, 2007
Inhibition and catalytic mechanism of HIV-1 aspartic protease
AM Silva, RE Cachau, HL Sham, JW Erickson
Journal of molecular biology 255 (2), 321-340, 1996
Safety and feasibility of anti-CD19 CAR T cells with fully human binding domains in patients with B-cell lymphoma
JN Brudno, N Lam, D Vanasse, Y Shen, JJ Rose, J Rossi, A Xue, A Bot, ...
Nature medicine 26 (2), 270-280, 2020
On the role of the SP1 domain in HIV-1 particle assembly: a molecular switch?
SAK Datta, LG Temeselew, RM Crist, F Soheilian, A Kamata, J Mirro, ...
Journal of virology 85 (9), 4111-4121, 2011
QM/MM modeling the Ras–GAP catalyzed hydrolysis of guanosine triphosphate
BL Grigorenko, AV Nemukhin, IA Topol, RE Cachau, SK Burt
Proteins: Structure, Function, and Bioinformatics 60 (3), 495-503, 2005
Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase
MP Blakeley, F Ruiz, R Cachau, I Hazemann, F Meilleur, A Mitschler, ...
Proceedings of the National Academy of Sciences 105 (6), 1844-1848, 2008
Study of interaction energies between the PAMAM dendrimer and nonsteroidal anti-inflammatory drug using a distributed computational strategy and experimental analysis by ESI-MS/MS
F Avila-Salas, C Sandoval, J Caballero, S Guiñez-Molinos, LS Santos, ...
The Journal of Physical Chemistry B 116 (7), 2031-2039, 2012
Nanoinformatics: a new area of research in nanomedicine
V Maojo, M Fritts, D de la Iglesia, RE Cachau, M Garcia-Remesal, ...
International journal of nanomedicine, 3867-3890, 2012
PDB ligand conformational energies calculated quantum-mechanically
M Sitzmann, IE Weidlich, IV Filippov, C Liao, ML Peach, WD Ihlenfeldt, ...
Journal of chemical information and modeling 52 (3), 739-756, 2012
Identification of critical residues of an immunodominant region of Echinococcus granulosus antigen B
G González-Sapienza, RE Cachau
Journal of Biological Chemistry 278 (22), 20179-20184, 2003
Complete basis set and density functional determination of the enthalpy of formation of the controversial HO3 radical: a discrepancy between theory and experiment
PA Denis, M Kieninger, ON Ventura, RE Cachau, GHF Diercksen
Chemical physics letters 365 (5-6), 440-449, 2002
Quantum chemical modeling of the GTP hydrolysis by the RAS–GAP protein complex
IA Topol, RE Cachau, AV Nemukhin, BL Grigorenko, SK Burt
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1700 (1), 125-136, 2004
Subatomic and atomic crystallographic studies of aldose reductase: implications for inhibitor binding
A Podjarny, RE Cachau, T Schneider, M Van Zandt, A Joachimiak
Cellular and Molecular Life Sciences CMLS 61, 763-773, 2004
A novel pathway of LPS uptake through syndecan-1 leading to pyroptotic cell death
S Yokoyama, Y Cai, M Murata, T Tomita, M Yoneda, L Xu, AL Pilon, ...
Elife 7, e37854, 2018
Metal ions-stimulated iron oxidation in hydroxylases facilitates stabilization of HIF-1α protein
M Kaczmarek, RE Cachau, IA Topol, KS Kasprzak, A Ghio, K Salnikow
Toxicological sciences 107 (2), 394-403, 2009
Solution structure of taxol determined using a novel feedback-scaling procedure for NOE-Restrained molecular dynamics
RE Cachau, R Gussio, JA Beutler, GN Chmurny, BD Hilton, GM Muschik, ...
The International Journal of Supercomputer Applications and High Performance …, 1994
The nonplanarity of the peptide group: molecular dynamics simulations with a polarizable two-state model for the peptide bond
SW Rick, RE Cachau
The Journal of Chemical Physics 112 (11), 5230-5241, 2000
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