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Victor Guallar

Showing results (31-40 of 141) with videos related to

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Journal of Molecular Biology|March 6, 2004
Computational modeling of the catalytic reaction in triosephosphate isomeraseVictor Guallar, Matt Jacobson, Ann McDermott, et al.
Journal of Chemical Theory and Computation|December 4, 2015
PELE:  Protein Energy Landscape Exploration. A Novel Monte Carlo Based TechniqueKenneth W Borrelli, Andreas Vitalis, Raul Alcantara, et al.
Journal of Chemical Theory and Computation|December 9, 2015
New Monte Carlo Based Technique To Study DNA-Ligand InteractionsIsrael Cabeza de Vaca, Maria Fátima Lucas, Victor Guallar
Journal of Chemical Theory and Computation|November 17, 2020
aquaPELE: A Monte Carlo-Based Algorithm to Sample the Effects of Buried Water Molecules in ProteinsMartí Municoy, Sergi Roda, Daniel Soler, et al.
Journal of Chemical Information and Modeling|July 28, 2018
Pushing the Limits of Computational Structure-Based Drug Design with a Cryo-EM Structure: The Ca<sup>2+</sup> Channel α2δ-1 Subunit as a Test CaseMartin Kotev, Rosalia Pascual, Carmen Almansa, et al.
Biochimica Et Biophysica Acta. Proteins and Proteomics|November 3, 2019
Sequential oxidation of 5-hydroxymethylfurfural to furan-2,5-dicarboxylic acid by an evolved aryl-alcohol oxidaseJavier Viña-Gonzalez, Angel T Martinez, Victor Guallar, et al.
Journal of Computational Chemistry|April 21, 2005
Importance of accurate charges in molecular docking: quantum mechanical/molecular mechanical (QM/MM) approachArt E Cho, Victor Guallar, Bruce J Berne, et al.
Biophysical Journal|October 22, 2008
Raman study of mechanically induced oxygenation state transition of red blood cells using optical tweezersSatish Rao, Stefan Bálint, Benjamin Cossins, et al.
Bioinformatics (Oxford, England)|September 24, 2025
aMLProt: an automated machine learning library for protein applicationsRuite Xiang, Christian Domínguez-Dalmases, Albert Cañellas-Solé, et al.
Journal of Chemical Information and Modeling|July 10, 2020
Combining Monte Carlo and Molecular Dynamics Simulations for Enhanced Binding Free Energy Estimation through Markov State ModelsJoan F Gilabert, Oriol Gracia Carmona, Anders Hogner, et al.
Pageof 15

Showing results (31-40 of 141) with videos related to

Sort By:
Pageof 15
Journal of Molecular Biology|March 6, 2004
Computational modeling of the catalytic reaction in triosephosphate isomeraseVictor Guallar, Matt Jacobson, Ann McDermott, et al.
Journal of Chemical Theory and Computation|December 4, 2015
PELE:  Protein Energy Landscape Exploration. A Novel Monte Carlo Based TechniqueKenneth W Borrelli, Andreas Vitalis, Raul Alcantara, et al.
Journal of Chemical Theory and Computation|December 9, 2015
New Monte Carlo Based Technique To Study DNA-Ligand InteractionsIsrael Cabeza de Vaca, Maria Fátima Lucas, Victor Guallar
Journal of Chemical Theory and Computation|November 17, 2020
aquaPELE: A Monte Carlo-Based Algorithm to Sample the Effects of Buried Water Molecules in ProteinsMartí Municoy, Sergi Roda, Daniel Soler, et al.
Journal of Chemical Information and Modeling|July 28, 2018
Pushing the Limits of Computational Structure-Based Drug Design with a Cryo-EM Structure: The Ca<sup>2+</sup> Channel α2δ-1 Subunit as a Test CaseMartin Kotev, Rosalia Pascual, Carmen Almansa, et al.
Biochimica Et Biophysica Acta. Proteins and Proteomics|November 3, 2019
Sequential oxidation of 5-hydroxymethylfurfural to furan-2,5-dicarboxylic acid by an evolved aryl-alcohol oxidaseJavier Viña-Gonzalez, Angel T Martinez, Victor Guallar, et al.
Journal of Computational Chemistry|April 21, 2005
Importance of accurate charges in molecular docking: quantum mechanical/molecular mechanical (QM/MM) approachArt E Cho, Victor Guallar, Bruce J Berne, et al.
Biophysical Journal|October 22, 2008
Raman study of mechanically induced oxygenation state transition of red blood cells using optical tweezersSatish Rao, Stefan Bálint, Benjamin Cossins, et al.
Bioinformatics (Oxford, England)|September 24, 2025
aMLProt: an automated machine learning library for protein applicationsRuite Xiang, Christian Domínguez-Dalmases, Albert Cañellas-Solé, et al.
Journal of Chemical Information and Modeling|July 10, 2020
Combining Monte Carlo and Molecular Dynamics Simulations for Enhanced Binding Free Energy Estimation through Markov State ModelsJoan F Gilabert, Oriol Gracia Carmona, Anders Hogner, et al.
Pageof 15