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Sergio Mares-Samano
Sergio Mares-Samano
Postdoc of Life Sciences, Barcelona Supercomputing Center
Verified email at bsc.es
Title
Cited by
Cited by
Year
Identification of putative steroid-binding sites in human ABCB1 and ABCG2
S Mares-Sámano, R Badhan, J Penny
European journal of medicinal chemistry 44 (9), 3601-3611, 2009
242009
Influence of a Mexican diet on the bioavailability of albendazole
SS Mares, CH Jung, AT López, DF González‐Esquivel
Basic & clinical pharmacology & toxicology 97 (2), 122-124, 2005
172005
Virtual screening of ABCC1 transporter nucleotidebinding domains as a therapeutic target in multidrug resistant cancer
K Rungsardthong, S Mares-Sámano, J Penny
Bioinformation 8 (19), 907, 2012
92012
Computational modeling of the interactions of drugs with human serum albumin (HSA)
S Mares-Sámano, R Garduño-Juárez
Computación y Sistemas 22 (4), 1123-1135, 2018
52018
Imidazole and nitroimidazole derivatives as NADH‐fumarate reductase inhibitors: Density functional theory studies, homology modeling, and molecular docking
L Campos‐Fernández, R Ortiz‐Muñiz, E Cortés‐Barberena, ...
Journal of computational chemistry 43 (23), 1573-1595, 2022
2022
Insight on the interaction between the scorpion toxin blocker Discrepin on potassium voltage-gated channel Kv4. 3 by molecular dynamics simulations
PA Montero-Domínguez, S Mares-Sámano, R Garduño-Juárez
Journal of Biomolecular Structure and Dynamics, 1-10, 2022
2022
Insights into the Molecular Inhibition of the Oncogenic Channel KV10.1 by Globular Toxins
JM Hernández-Meza, S Mares-Sámano, R Garduño-Juárez
Journal of Chemical Information and Modeling 61 (5), 2328-2340, 2021
2021
Computer Simulation Studies of a Kainate (GluKI) Receptor with Two Glutamate Analogues
PA Montero-Domínguez, R Garduño-Juárez, S Mares-Sámano
Computación y Sistemas 23 (2), 313-324, 2019
2019
Computer-assisted drug design of potential modulators of Multidrug Resistance Protein-1 (MRP1)
K Rungsardthong, S Mares-Samano, J Penny
5th Joint Sheffield Conference on Chemoinformatics, 2010
2010
Structure-based ligand design of potential modulators of Multidrug Resistance Protein-1 (MRP-1)
K Rungsardthong, S Mares-Samano, J Penny
FEBS-ABC2010, 2010
2010
In silico design of potential modulators of ABCB1 and ABCG2 transport activity
S Mares-Samano
University of Manchester, 2010
2010
Computer simulation studies of a kainate receptor with two glutamate analogues
PA Montero-Domínguez, R Garduño-Juárez, S Mares-Sámano
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Articles 1–12