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Gary Tresadern

Showing results (11-20 of 99) with videos related to

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Scientific Reports|March 22, 2018
Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein ConformationLaura Pérez-Benito, Henrik Keränen, Herman van Vlijmen, et al.
Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences|July 29, 2006
An analysis of reaction pathways for proton tunnelling in methylamine dehydrogenaseSara Nuñez, Gary Tresadern, Ian H Hillier, et al.
Journal of Computer-Aided Molecular Design|November 24, 2020
Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and softwareYuriy Khalak, Gary Tresadern, Bert L de Groot, et al.
Advances in Pharmacology (San Diego, Calif.)|May 18, 2020
The computational modeling of allosteric modulation of metabotropic glutamate receptorsLaura Pérez-Benito, Claudia Llinas Del Torrent, Leonardo Pardo, et al.
Journal of Chemical Information and Modeling|August 9, 2016
Application of Free Energy Perturbation for the Design of BACE1 InhibitorsMyriam Ciordia, Laura Pérez-Benito, Francisca Delgado, et al.
Plos One|December 15, 2015
mGlu2 Receptor Agonism, but Not Positive Allosteric Modulation, Elicits Rapid Tolerance towards Their Primary Efficacy on Sleep Measures in RatsAbdallah Ahnaou, Hilde Lavreysen, Gary Tresadern, et al.
Journal of Chemical Theory and Computation|September 23, 2022
Chemical Space Exploration with Active Learning and Alchemical Free EnergiesYuriy Khalak, Gary Tresadern, David F Hahn, et al.
Drug Discovery Today|July 4, 2017
Industrial medicinal chemistry insights: neuroscience hit generation at JanssenGary Tresadern, Frederik J R Rombouts, Daniel Oehlrich, et al.
Advanced Theory and Simulations|September 16, 2021
Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica-ExchangeShunzhou Wan, Gary Tresadern, Laura Pérez-Benito, et al.
Journal of Medicinal Chemistry|November 14, 2015
Benzazaborinines as Novel Bioisosteric Replacements of Naphthalene: Propranolol as an ExampleFrederik J R Rombouts, Fulgencio Tovar, Nigel Austin, et al.
Pageof 10

Showing results (11-20 of 99) with videos related to

Sort By:
Pageof 10
Scientific Reports|March 22, 2018
Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein ConformationLaura Pérez-Benito, Henrik Keränen, Herman van Vlijmen, et al.
Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences|July 29, 2006
An analysis of reaction pathways for proton tunnelling in methylamine dehydrogenaseSara Nuñez, Gary Tresadern, Ian H Hillier, et al.
Journal of Computer-Aided Molecular Design|November 24, 2020
Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and softwareYuriy Khalak, Gary Tresadern, Bert L de Groot, et al.
Advances in Pharmacology (San Diego, Calif.)|May 18, 2020
The computational modeling of allosteric modulation of metabotropic glutamate receptorsLaura Pérez-Benito, Claudia Llinas Del Torrent, Leonardo Pardo, et al.
Journal of Chemical Information and Modeling|August 9, 2016
Application of Free Energy Perturbation for the Design of BACE1 InhibitorsMyriam Ciordia, Laura Pérez-Benito, Francisca Delgado, et al.
Plos One|December 15, 2015
mGlu2 Receptor Agonism, but Not Positive Allosteric Modulation, Elicits Rapid Tolerance towards Their Primary Efficacy on Sleep Measures in RatsAbdallah Ahnaou, Hilde Lavreysen, Gary Tresadern, et al.
Journal of Chemical Theory and Computation|September 23, 2022
Chemical Space Exploration with Active Learning and Alchemical Free EnergiesYuriy Khalak, Gary Tresadern, David F Hahn, et al.
Drug Discovery Today|July 4, 2017
Industrial medicinal chemistry insights: neuroscience hit generation at JanssenGary Tresadern, Frederik J R Rombouts, Daniel Oehlrich, et al.
Advanced Theory and Simulations|September 16, 2021
Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica-ExchangeShunzhou Wan, Gary Tresadern, Laura Pérez-Benito, et al.
Journal of Medicinal Chemistry|November 14, 2015
Benzazaborinines as Novel Bioisosteric Replacements of Naphthalene: Propranolol as an ExampleFrederik J R Rombouts, Fulgencio Tovar, Nigel Austin, et al.
Pageof 10