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Journal of Cheminformatics|May 26, 2019
An exploration strategy improves the diversity of de novo ligands using deep reinforcement learning: a case for the adenosine A2A receptorXuhan Liu, Kai Ye, Herman W T van Vlijmen, et al.Biochemical Pharmacology|July 21, 2018
Impact of allosteric modulation: Exploring the binding kinetics of glutamate and other orthosteric ligands of the metabotropic glutamate receptor 2Maarten L J Doornbos, Sophie C Vermond, Hilde Lavreysen, et al.European Journal of Pharmacology|May 25, 2005
Pharmacokinetic/pharmacodynamic modelling of the anti-hyperalgesic and anti-nociceptive effect of adenosine A1 receptor partial agonists in neuropathic painMarloes P Schaddelee, Sue D Collins, Joost DeJongh, et al.Scientific Reports|January 15, 2021
A study of the dopamine transporter using the TRACT assay, a novel in vitro tool for solute carrier drug discoveryHubert J Sijben, Julie J E van den Berg, Jeremy D Broekhuis, et al.European Journal of Pharmacology|March 23, 2004
The mouse brain adenosine A1 receptor: functional expression and pharmacologyMaria C Wittendorp, Jacobien von Frijtag Drabbe Künzel, Adriaan P Ijzerman, et al.Protein Science : a Publication of the Protein Society|February 2, 2010
Mining protein dynamics from sets of crystal structures using "consensus structures"Gerard J P van Westen, Jörg K Wegner, Andreas Bender, et al.Briefings in Bioinformatics|October 30, 2016
Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screeningShardul Paricharak, Oscar Méndez-Lucio, Aakash Chavan Ravindranath, et al.Journal of Medicinal Chemistry|March 20, 2009
Substituted terphenyl compounds as the first class of low molecular weight allosteric inhibitors of the luteinizing hormone receptorLaura H Heitman, Rajeshwar Narlawar, Henk de Vries, et al.Molecular Pharmacology|November 9, 2007
[3H]Org 43553, the first low-molecular-weight agonistic and allosteric radioligand for the human luteinizing hormone receptorLaura H Heitman, Julia Oosterom, Kimberly M Bonger, et al.Drug Discovery Today|March 18, 2022
Oncological drug discovery: AI meets structure-based computational researchMarina Gorostiola González, Antonius P A Janssen, Adriaan P IJzerman, et al.Pageof 33