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Gary Tresadern

Showing results (41-50 of 99) with videos related to

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Bioinformatics (Oxford, England)|August 19, 2025
Spatio-temporal learning from molecular dynamics simulations for protein-ligand binding affinity predictionPierre-Yves Libouban, Camille Parisel, Maxime Song, et al.
Chemical Science|March 20, 2020
DeltaDelta neural networks for lead optimization of small molecule potencyJosé Jiménez-Luna, Laura Pérez-Benito, Gerard Martínez-Rosell, et al.
Journal of Chemical Information and Modeling|June 30, 2025
Quantification of the Impact of Structure Quality on Predicted Binding Free Energy AccuracySudarshan Behera, David F Hahn, Carter J Wilson, et al.
Chemical Science|June 4, 2021
Large scale relative protein ligand binding affinities using non-equilibrium alchemyVytautas Gapsys, Laura Pérez-Benito, Matteo Aldeghi, et al.
Scientific Reports|June 21, 2022
The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinaseShunzhou Wan, Agastya P Bhati, David W Wright, et al.
Biochemical Pharmacology|April 2, 2018
Constitutive activity of the metabotropic glutamate receptor 2 explored with a whole-cell label-free biosensorMaarten L J Doornbos, Ilse Van der Linden, Liesbeth Vereyken, et al.
Bioinformatics (Oxford, England)|June 1, 2018
The size matters? A computational tool to design bivalent ligandsLaura Pérez-Benito, Andrew Henry, Minos-Timotheos Matsoukas, et al.
Journal of Chemical Information and Modeling|November 28, 2017
Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric ModelingGary Tresadern, Andres A Trabanco, Laura Pérez-Benito, et al.
Journal of Chemical Information and Modeling|March 23, 2012
Recognizing pitfalls in virtual screening: a critical reviewThomas Scior, Andreas Bender, Gary Tresadern, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 4, 2015
A Versatile Approach to CF3 -Containing 2-Pyrrolidones by Tandem Michael Addition-Cyclization: Exemplification in the Synthesis of Amidine Class BACE1 InhibitorsNatalia Mateu, Myriam Ciordia, Oscar Delgado, et al.
Pageof 10

Showing results (41-50 of 99) with videos related to

Sort By:
Pageof 10
Bioinformatics (Oxford, England)|August 19, 2025
Spatio-temporal learning from molecular dynamics simulations for protein-ligand binding affinity predictionPierre-Yves Libouban, Camille Parisel, Maxime Song, et al.
Chemical Science|March 20, 2020
DeltaDelta neural networks for lead optimization of small molecule potencyJosé Jiménez-Luna, Laura Pérez-Benito, Gerard Martínez-Rosell, et al.
Journal of Chemical Information and Modeling|June 30, 2025
Quantification of the Impact of Structure Quality on Predicted Binding Free Energy AccuracySudarshan Behera, David F Hahn, Carter J Wilson, et al.
Chemical Science|June 4, 2021
Large scale relative protein ligand binding affinities using non-equilibrium alchemyVytautas Gapsys, Laura Pérez-Benito, Matteo Aldeghi, et al.
Scientific Reports|June 21, 2022
The performance of ensemble-based free energy protocols in computing binding affinities to ROS1 kinaseShunzhou Wan, Agastya P Bhati, David W Wright, et al.
Biochemical Pharmacology|April 2, 2018
Constitutive activity of the metabotropic glutamate receptor 2 explored with a whole-cell label-free biosensorMaarten L J Doornbos, Ilse Van der Linden, Liesbeth Vereyken, et al.
Bioinformatics (Oxford, England)|June 1, 2018
The size matters? A computational tool to design bivalent ligandsLaura Pérez-Benito, Andrew Henry, Minos-Timotheos Matsoukas, et al.
Journal of Chemical Information and Modeling|November 28, 2017
Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric ModelingGary Tresadern, Andres A Trabanco, Laura Pérez-Benito, et al.
Journal of Chemical Information and Modeling|March 23, 2012
Recognizing pitfalls in virtual screening: a critical reviewThomas Scior, Andreas Bender, Gary Tresadern, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 4, 2015
A Versatile Approach to CF3 -Containing 2-Pyrrolidones by Tandem Michael Addition-Cyclization: Exemplification in the Synthesis of Amidine Class BACE1 InhibitorsNatalia Mateu, Myriam Ciordia, Oscar Delgado, et al.
Pageof 10