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Journal of Computer-Aided Molecular Design
|
October 7, 2016
Docking-undocking combination applied to the D3R Grand Challenge 2015
Sergio Ruiz-Carmona, 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 sites
Daniel Alvarez-Garcia, Xavier Barril
Methods (San Diego, Calif.)
|
September 7, 2014
Virtual screening: an in silico tool for interlacing the chemical universe with the proteome
Yvonne Westermaier, Xavier Barril, Leonardo Scapozza
Journal of Computer-Aided Molecular Design
|
January 19, 2021
Testing automatic methods to predict free binding energy of host-guest complexes in SAMPL7 challenge
Dylan Serillon, Carles Bo, Xavier Barril
Journal of Medicinal Chemistry
|
March 20, 2009
Binding site detection and druggability index from first principles
Jesus Seco, F Javier Luque, Xavier Barril
Methods in Molecular Biology (Clifton, N.J.)
|
July 25, 2018
Dynamic Undocking: A Novel Method for Structure-Based Drug Discovery
Maciej Majewski, Sergio Ruiz-Carmona, Xavier Barril
Current Opinion in Pharmacology
|
July 25, 2018
Predicting how drug molecules bind to their protein targets
Moira M Rachman, Xavier Barril, Roderick E Hubbard
Drug Discovery Today. Technologies
|
December 17, 2021
Fragment-to-lead tailored in silico design
Moira Rachman, Serena Piticchio, Maciej Majewski, et al.
Journal of Computational Chemistry
|
August 20, 2008
Toward accurate relative energy predictions of the bioactive conformation of drugs
Keith T Butler, F Javier Luque, Xavier Barril
Journal of Chemical Information and Modeling
|
May 20, 2025
The Quasi-Bound State as a Predictor of Relative Binding Free Energy
Álvaro Serrano-Morrás, Yvonne Westermaier, Maciej Majewski, et al.
Page
of 9
Search research articles
Search
Showing results (11-20 of 82) with videos related to
Sort By:
Page
of 9
Journal of Computer-Aided Molecular Design
|
October 7, 2016
Docking-undocking combination applied to the D3R Grand Challenge 2015
Sergio Ruiz-Carmona, 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 sites
Daniel Alvarez-Garcia, Xavier Barril
Methods (San Diego, Calif.)
|
September 7, 2014
Virtual screening: an in silico tool for interlacing the chemical universe with the proteome
Yvonne Westermaier, Xavier Barril, Leonardo Scapozza
Journal of Computer-Aided Molecular Design
|
January 19, 2021
Testing automatic methods to predict free binding energy of host-guest complexes in SAMPL7 challenge
Dylan Serillon, Carles Bo, Xavier Barril
Journal of Medicinal Chemistry
|
March 20, 2009
Binding site detection and druggability index from first principles
Jesus Seco, F Javier Luque, Xavier Barril
Methods in Molecular Biology (Clifton, N.J.)
|
July 25, 2018
Dynamic Undocking: A Novel Method for Structure-Based Drug Discovery
Maciej Majewski, Sergio Ruiz-Carmona, Xavier Barril
Current Opinion in Pharmacology
|
July 25, 2018
Predicting how drug molecules bind to their protein targets
Moira M Rachman, Xavier Barril, Roderick E Hubbard
Drug Discovery Today. Technologies
|
December 17, 2021
Fragment-to-lead tailored in silico design
Moira Rachman, Serena Piticchio, Maciej Majewski, et al.
Journal of Computational Chemistry
|
August 20, 2008
Toward accurate relative energy predictions of the bioactive conformation of drugs
Keith T Butler, F Javier Luque, Xavier Barril
Journal of Chemical Information and Modeling
|
May 20, 2025
The Quasi-Bound State as a Predictor of Relative Binding Free Energy
Álvaro Serrano-Morrás, Yvonne Westermaier, Maciej Majewski, et al.
Page
of 9