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Daniel Alvarez-Garcia

Showing results (1-10 of 8) with videos related to

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Journal of Chemical Theory and Computation|November 19, 2015
Relationship between Protein Flexibility and Binding: Lessons for Structure-Based Drug DesignDaniel Alvarez-Garcia, Xavier Barril
Journal of Medicinal Chemistry|October 3, 2014
Molecular simulations with solvent competition quantify water displaceability and provide accurate interaction maps of protein binding sitesDaniel Alvarez-Garcia, Xavier Barril
Current Drug Discovery Technologies|December 24, 2021
Extracting Atomic Contributions to Binding Free Energy Using Molecular Dynamics Simulations with Mixed Solvents (MDmix)Daniel Alvarez-Garcia, Peter Schmidtke, Elena Cubero, et al.
International Journal of Molecular Sciences|May 14, 2022
Development of an Automatic Pipeline for Participation in the CELPP ChallengeMarina Miñarro-Lleonar, Sergio Ruiz-Carmona, Daniel Alvarez-Garcia, et al.
Journal of Chemical Information and Modeling|June 14, 2018
Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy PredictionsJuan Pablo Arcon, Lucas A Defelipe, Carlos P Modenutti, et al.
Journal of Chemical Information and Modeling|March 21, 2017
Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy PredictionsJuan Pablo Arcon, Lucas A Defelipe, Carlos P Modenutti, et al.
Plos Computational Biology|April 12, 2014
rDock: a fast, versatile and open source program for docking ligands to proteins and nucleic acidsSergio Ruiz-Carmona, Daniel Alvarez-Garcia, Nicolas Foloppe, et al.
Journal of Chemical Information and Modeling|July 5, 2026
Advancing Biochemical Molecule Registration, Representation and Search for New Drug ModalitiesKevin Pinto-Gil, Leonardo De Maria, Anaïs F M Noisier, et al.
Pageof 1

Showing results (1-10 of 8) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|November 19, 2015
Relationship between Protein Flexibility and Binding: Lessons for Structure-Based Drug DesignDaniel Alvarez-Garcia, Xavier Barril
Journal of Medicinal Chemistry|October 3, 2014
Molecular simulations with solvent competition quantify water displaceability and provide accurate interaction maps of protein binding sitesDaniel Alvarez-Garcia, Xavier Barril
Current Drug Discovery Technologies|December 24, 2021
Extracting Atomic Contributions to Binding Free Energy Using Molecular Dynamics Simulations with Mixed Solvents (MDmix)Daniel Alvarez-Garcia, Peter Schmidtke, Elena Cubero, et al.
International Journal of Molecular Sciences|May 14, 2022
Development of an Automatic Pipeline for Participation in the CELPP ChallengeMarina Miñarro-Lleonar, Sergio Ruiz-Carmona, Daniel Alvarez-Garcia, et al.
Journal of Chemical Information and Modeling|June 14, 2018
Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy PredictionsJuan Pablo Arcon, Lucas A Defelipe, Carlos P Modenutti, et al.
Journal of Chemical Information and Modeling|March 21, 2017
Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy PredictionsJuan Pablo Arcon, Lucas A Defelipe, Carlos P Modenutti, et al.
Plos Computational Biology|April 12, 2014
rDock: a fast, versatile and open source program for docking ligands to proteins and nucleic acidsSergio Ruiz-Carmona, Daniel Alvarez-Garcia, Nicolas Foloppe, et al.
Journal of Chemical Information and Modeling|July 5, 2026
Advancing Biochemical Molecule Registration, Representation and Search for New Drug ModalitiesKevin Pinto-Gil, Leonardo De Maria, Anaïs F M Noisier, et al.
Pageof 1