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Biochimica Et Biophysica Acta|May 4, 2016
Inherent conformational flexibility of F1-ATPase α-subunitOtto Hahn-Herrera, Guillermo Salcedo, Xavier Barril, et al.Bioinformatics (Oxford, England)|October 5, 2011
MDpocket: open-source cavity detection and characterization on molecular dynamics trajectoriesPeter Schmidtke, Axel Bidon-Chanal, F Javier Luque, et al.The Journal of Organic Chemistry|June 7, 2003
Molecular dynamics study of 2rotaxanes: influence of solvation and cation on co-conformationXavier Fradera, Manuel Márquez, Bradley D Smith, et al.Journal of Chemical Theory and Computation|November 28, 2015
Ensemble Docking from Homology ModelsEva Maria Novoa, Lluis Ribas de Pouplana, Xavier Barril, et al.Bioinformatics (Oxford, England)|November 23, 2020
Extended connectivity interaction features: improving binding affinity prediction through chemical descriptionNorberto Sánchez-Cruz, José L Medina-Franco, Jordi Mestres, et al.Plos One|July 9, 2015
In Silico/In Vivo Insights into the Functional and Evolutionary Pathway of Pseudomonas aeruginosa Oleate-Diol Synthase. Discovery of a New Bacterial Di-Heme Cytochrome C Peroxidase SubfamilyMónica Estupiñán, Daniel Álvarez-García, Xavier Barril, et al.Proteins|November 11, 2011
Allosteric regulation of PKCθ: understanding multistep phosphorylation and priming by ligands in AGC kinasesJesus Seco, Carles Ferrer-Costa, Josep M Campanera, et al.Journal of Chemical Theory and Computation|November 24, 2015
A Multilevel Strategy for the Exploration of the Conformational Flexibility of Small MoleculesFlavio Forti, Claudio N Cavasotto, Modesto Orozco, et al.The Journal of Physical Chemistry. B|October 17, 2014
Assessing the suitability of the multilevel strategy for the conformational analysis of small ligandsJordi Juárez-Jiménez, Xavier Barril, Modesto Orozco, et al.Chembiochem : a European Journal of Chemical Biology|February 1, 2022
NMR Data-Driven Docking of HDM2-Inhibitor ComplexesXavier Fradera, Michael H Reutershan, Michelle R Machacek, et al.Pageof 13