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R. Cachau · SciRah

Researcher profile · Semantic Scholar

R. Cachau

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R. Cachau — researcher profile on SciRah

h-index: 28
Works: 118
Citations: 3,183

Most-cited papers

Ultrahigh resolution drug design I: Details of interactions in human aldose reductase–inhibitor complex at 0.66 Å
E. Howard, R. Sanishvili, R. Cachau, A. Mitschler +10 more
2004Proteins: Structure, Function, and Bioinformatics282 citations
Semantic Scholar
Safety and feasibility of anti-CD19 CAR T cells with fully-human binding domains in patients with B-cell lymphoma
Jennifer N. Brudno, Norris Lam, Danielle Vanasse, Yueh-Wei Shen +16 more
2020Nature Medicine279 citations Open access
Semantic Scholar
Towards a consensus on datasets and evaluation metrics for developing B‐cell epitope prediction tools
Jason A. Greenbaum, P. Andersen, Martin J. Blythe, Huynh-Hoa Bui +19 more
2007Journal of Molecular Recognition263 citations Open access
Semantic Scholar
Structure and inhibition of plasmepsin II, a hemoglobin-degrading enzyme from Plasmodium falciparum.
Abelardo M. Silva, Angela Y. Lee, S. Gulnik, P. Maier +10 more
1996Proceedings of the National Academy of Sciences of the United States of America250 citations Open access
Semantic Scholar
Inhibition and catalytic mechanism of HIV-1 aspartic protease.
Abelardo M. Silva, R. Cachau, H. Sham, John W. Erickson
1996Journal of Molecular Biology161 citations
Semantic Scholar
On the Role of the SP1 Domain in HIV-1 Particle Assembly: a Molecular Switch?
S. Datta, Lakew G Temeselew, Rachael M. Crist, F. Soheilian +6 more
2011Journal of Virology129 citations Open access
Semantic Scholar
QM/MM modeling the Ras–GAP catalyzed hydrolysis of guanosine triphosphate
B. Grigorenko, A. Nemukhin, I. Topol, R. Cachau +1 more
2005Proteins: Structure, Function, and Bioinformatics92 citations
Semantic Scholar
Study of Interaction Energies between PAMAM Dendrimer and non-Steroidal Anti-Inflammatory Drug Using a Distributed Computational Strategy and Experimental Analysis by ESI-MS/MS
F. Ávila-Salas, C. Sandoval, J. Caballero, Sergio Guínez-Molinos +3 more
2012Journal of Physical Chemistry B66 citations Open access
Semantic Scholar
Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase
M. Blakeley, F. Ruiz, R. Cachau, I. Hazemann +10 more
2008Proceedings of the National Academy of Sciences of the United States of America66 citations Open access
Semantic Scholar
A novel pathway of LPS uptake through syndecan-1 leading to pyroptotic cell death
Shigetoshi Yokoyama, Yan Cai, M. Murata, T. Tomita +5 more
2018eLife65 citations Open access
Semantic Scholar
Nanoinformatics: a new area of research in nanomedicine
V. Maojo, M. Fritts, D. de la Iglesia, R. Cachau +3 more
2012International Journal of Nanomedicine57 citations Open access
Semantic Scholar
PDB Ligand Conformational Energies Calculated Quantum-Mechanically
M. Sitzmann, Iwona E. Weidlich, I. V. Filippov, Chenzhong Liao +6 more
2012Journal of Chemical Information and Modeling51 citations Open access
Semantic Scholar
Identification of Critical Residues of an Immunodominant Region of Echinococcus granulosus Antigen B*
G. González-Sapienza, R. Cachau
2003Journal of Biological Chemistry48 citations Open access
Semantic Scholar
Metal ions-stimulated iron oxidation in hydroxylases facilitates stabilization of HIF-1 alpha protein.
Monika Z. Kaczmarek, R. Cachau, I. Topol, K. Kasprzak +2 more
2009Toxicological Sciences47 citations Open access
Semantic Scholar
Quantum chemical modeling of the GTP hydrolysis by the RAS-GAP protein complex.
I. Topol, R. Cachau, A. Nemukhin, B. Grigorenko +1 more
2004Biochimica et Biophysica Acta47 citations
Semantic Scholar
TNIK is a therapeutic target in Lung Squamous Cell Carcinoma and regulates FAK activation through Merlin.
P. Torres-Ayuso, Elvira An, Katherine Nyswaner, Ryan C. Bensen +16 more
2021Cancer Discovery45 citations Open access
Semantic Scholar
CAR T cells targeting tumor-associated exons of glypican 2 regress neuroblastoma in mice
Nan Li, Madeline B. Torres, Madeline R. Spetz, Ruixue Wang +15 more
2021Cell Reports Medicine42 citations Open access
Semantic Scholar
Subatomic and atomic crystallographic studies of aldose reductase: implications for inhibitor binding
Alberto Podjarny, R. Cachau, T. Schneider, M. V. Van Zandt +1 more
2004Cellular and Molecular Life Sciences (CMLS)40 citations Open access
Semantic Scholar
Conformational energy range of ligands in protein crystal structures: the difficult quest for accurate understanding
Megan L. Peach, R. Cachau, M. Nicklaus
2017Journal of Molecular Recognition36 citations Open access
Semantic Scholar
Complete basis set and density functional determination of the enthalpy of formation of the controversial HO3 radical: a discrepancy between theory and experiment
P. Denis, M. Kieninger, O. Ventura, R. Cachau +1 more
200236 citations
Semantic Scholar
Electrostatically Driven Guanidinium Interaction Domains that Control Hydrogel-Mediated Protein Delivery In Vivo
Stephen E. Miller, Y. Yamada, Nimit L. Patel, Ernesto Suárez +5 more
2019ACS Central Science35 citations Open access
Semantic Scholar
Supramolecular complexes of quantum dots and a polyamidoamine (PAMAM)-folate derivative for molecular imaging of cancer cells
Daniela A. Geraldo, Esteban F. Durán-Lara, Daniel Aguayo, R. Cachau +5 more
2011Analytical and Bioanalytical Chemistry34 citations
Semantic Scholar
Abstract 4103: The IgG4 hinge with CD28 transmembrane domain improves VHH-based CAR T cells targeting a membrane-distal epitope of GPC1 in pancreatic cancer
Nan Li, Alex Quan, Dan Li, Hua Ren +4 more
2023Cancer Research33 citations
Semantic Scholar
Dromedary camel nanobodies broadly neutralize SARS-CoV-2 variants
Jessica Hong, H. Kwon, R. Cachau, Catherine Z. Chen +14 more
2022Proceedings of the National Academy of Sciences of the United States of America30 citations Open access
Semantic Scholar
Nanoinformatics: developing new computing applications for nanomedicine
V. Maojo, M. Fritts, F. Martín-Sánchez, D. de la Iglesia +31 more
2012Computing30 citations Open access
Semantic Scholar
Nanoinformatics: an emerging area of information technology at the intersection of bioinformatics, computational chemistry and nanobiotechnology.
F. González-Nilo, Tomas Pérez-Acle, Sergio Guínez-Molinos, Daniela A. Geraldo +6 more
2011Biological Research28 citations Open access
Semantic Scholar
The nonplanarity of the peptide group: Molecular dynamics simulations
S. Rick, R. Cachau
200028 citations
Semantic Scholar
Quantum chemical modeling of reaction mechanism for 2-oxoglutarate dependent enzymes: effect of substitution of iron by nickel and cobalt.
I. Topol, A. Nemukhin, K. Salnikow, R. Cachau +3 more
2006Journal of Physical Chemistry A27 citations
Semantic Scholar
Inhibition of phosphoinositol 3 kinase contributes to nanoparticle-mediated exaggeration of endotoxin-induced leukocyte procoagulant activity
A. Ilinskaya, Sonny Man, A. Patri, J. Clogston +4 more
2013Nanomedicine26 citations Open access
Semantic Scholar
New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Firas Fadel, Yu-Guang Zhao, R. Cachau, A. Cousido-Siah +5 more
2015Acta Crystallographica Section D: Biological Crystallography23 citations Open access
Semantic Scholar
Linear Scaling DFT Calculations with Numerical Atomic Orbitals
P. Ordejón, E. Artacho, R. Cachau, J. Gale +7 more
200122 citations
Semantic Scholar
Nanoinformatics knowledge infrastructures: bringing efficient information management to nanomedical research
D. de la Iglesia, R. Cachau, M. García-Remesal, V. Maojo
2013Computational Science & Discovery21 citations Open access
Semantic Scholar
On the nature of oxoiron (IV) intermediate in dioxygen activation by non-heme enzymes
A. Nemukhin, I. Topol, R. Cachau, S. Burt
200621 citations
Semantic Scholar
Contribution of SLC22A12 on hypouricemia and its clinical significance for screening purposes
D. Cha, H. Gee, R. Cachau, Jong-Mun Choi +9 more
2019Scientific Reports19 citations Open access
Semantic Scholar
Model of the catalytic mechanism of human aldose reductase based on quantum chemical calculations
R. Cachau, E. Howard, P. Barth, A. Mitschler +8 more
200019 citations
Semantic Scholar
Density Functional Theory Is More Accurate Than Coupled-Cluster Theory in the Study of the Thermochemistry of Species Containing the F-O Bond
O. Ventura, M. Kieninger, R. Cachau
199918 citations
Semantic Scholar
Density Functional Computational Thermochemistry: Isomerization of Sulfine and Its Enthalpy of Formation
O. Ventura, M. Kieninger, P. Denis, R. Cachau
200117 citations
Semantic Scholar
Density functional and coupled-cluster calculations of isodesmic reactions involving fluorine oxides
O. Ventura, R. Cachau, M. Kieninger
199917 citations
Semantic Scholar
The Collaboratory for Structural Nanobiology
Alvaro Gonzalez-Ibañez, F. González-Nilo, R. Cachau
200916 citations Open access
Semantic Scholar
High‐resolution crystallography and drug design
R. Cachau, A. Podjarny
2005Journal of Molecular Recognition16 citations Open access
Semantic Scholar
A theoretical study of excited state proton transfer in 3-hydroxychromone and related molecules
G. Estiú, J. Rama, A. Pereira, R. Cachau +1 more
199913 citations
Semantic Scholar
Identification of a dysfunctional exon-skipping splice variant in GLUT9/SLC2A9 causal for renal hypouricemia type 2
Y. Toyoda, S. Cho, V. Tasic, K. Pavelcová +11 more
2023Frontiers in Genetics12 citations Open access
Semantic Scholar
A new perspective in the Lewis acid catalyzed ring opening of epoxides. Theoretical study of some complexes of methanol, acetic acid, dimethyl ether, diethyl ether, and ethylene oxide with boron trifluoride.
P. Saénz, R. Cachau, G. Seoane, M. Kieninger +1 more
2006Journal of Physical Chemistry A12 citations
Semantic Scholar
Density functional computational thermochemistry: solving the discrepancy between MO and DFT calculations on the enthalpy of formation of sulfine, CH2SO
O. Ventura, M. Kieninger, P. Denis, R. Cachau
200211 citations
Semantic Scholar
Nanoinformatics workshop report: Current resources, community needs, and the proposal of a collaborative framework for data sharing and information integration
S. Harper, J. Hutchison, Nathan A. Baker, M. Ostraat +10 more
2013Computational Science & Discovery10 citations Open access
Semantic Scholar
Regioselective epoxide ring-opening using boron trifluoride diethyl etherate: DFT study of an alternative mechanism to explain the formation of syn-fluorohydrins
P. Méndez, R. Cachau, G. Seoane, O. Ventura
200910 citations
Semantic Scholar
Ink-jet printer heads for ultra-small-drop protein crystallography.
E. Howard, R. Cachau
2002BioTechniques10 citations Open access
Semantic Scholar
Density functional computational thermochemistry: determination of the enthalpy of formation of sulfine, CH2SO, at room temperature
O. Ventura, M. Kieninger, R. Cachau, S. Suhai
200010 citations
Semantic Scholar
Analysis of SARS-CoV-2 ORF3a structure reveals chloride binding sites
V. Márquez-Miranda, Maximiliano Rojas, Yorley Duarte, Ignacio Díaz-Franulic +3 more
2020bioRxiv9 citations Open access
Semantic Scholar
Molecular structure and internal rotation in 2,3,5,6-tetrafluoroanisole as studied by gas-phase electron diffraction and quantum chemical calculations.
A. Belyakov, M. Kieninger, R. Cachau, O. Ventura +1 more
2005Journal of Physical Chemistry A9 citations
Semantic Scholar

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