Victor Guallar
Affiliations: | Biomedical Engineering | Washington University, Saint Louis, St. Louis, MO |
Area:
General Biophysics, Molecular Biology, BiochemistryGoogle:
"Victor Guallar"
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Publications
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| Roda S, Santiago G, Guallar V. (2020) Mapping enzyme-substrate interactions: its potential to study the mechanism of enzymes. Advances in Protein Chemistry and Structural Biology. 122: 1-31 |
| Amengual-Rigo P, Fernández-Recio J, Guallar V. (2020) UEP: an open-source and fast classifier for predicting the impact of mutations in protein-protein complexes. Bioinformatics (Oxford, England) |
| Gilabert JF, Gracia Carmona O, Hogner A, et al. (2020) Combining Monte Carlo and molecular dynamics simulations for enhanced binding free energy estimation through Markov State Models. Journal of Chemical Information and Modeling |
| Perez C, Soler D, Soliva R, et al. (2020) FragPELE: Dynamic Ligand Growing within a Binding Site. A Novel Tool for Hit-To-Lead Drug Design. Journal of Chemical Information and Modeling |
| Gentil S, Rousselot-Pailley P, Sancho F, et al. (2020) Efficiency of site-specific clicked laccase-carbon nanotubes biocathodes towards O2 reduction. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| Díaz L, Soler D, Tresadern G, et al. (2020) Monte Carlo simulations using PELE to identify a protein–protein inhibitor binding site and pose Rsc Advances. 10: 7058-7064 |
| Saen-Oon S, Lozoya E, Segarra V, et al. (2019) Atomistic simulations shed new light on the activation mechanisms of RORγ and classify it as Type III nuclear hormone receptor regarding ligand-binding paths. Scientific Reports. 9: 17249 |
| Viña-Gonzalez J, Martinez AT, Guallar V, et al. (2019) Sequential oxidation of 5-hydroxymethylfurfural to furan-2,5-dicarboxylic acid by an evolved aryl-alcohol oxidase. Biochimica Et Biophysica Acta. Proteins and Proteomics. 140293 |
| Gilabert JF, Grebner C, Soler D, et al. (2019) PELE-MSM: a Monte Carlo based protocol for the estimation of absolute binding free energies. Journal of Chemical Theory and Computation |
| de Salas F, Cañadas R, Santiago G, et al. (2019) Structural and biochemical insights into an engineered high-redox potential laccase overproduced in Aspergillus. International Journal of Biological Macromolecules |