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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.
International Journal of Molecular Sciences|April 13, 2024
Computational Characterization of Membrane Proteins as Anticancer Targets: Current Challenges and OpportunitiesMarina Gorostiola González, Pepijn R J Rakers, Willem Jespers, et al.
Frontiers in Molecular Biosciences|December 11, 2023
Molecular insights into disease-associated glutamate transporter (EAAT1 / <i>SLC1A3</i>) variants using <i>in silico</i> and <i>in vitro</i> approachesMarina Gorostiola González, Hubert J Sijben, Laura Dall' Acqua, et al.
European Journal of Pharmacology|October 31, 2024
The effect of cancer-associated mutations on ligand binding and receptor function - A case for the 5-HT<sub>2C</sub> receptorChenlin Feng, Rongfang Liu, Reno Brooks, et al.
Journal of Cheminformatics|August 28, 2023
3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptorsMarina Gorostiola González, Remco L van den Broek, Thomas G M Braun, et al.
Molecules (Basel, Switzerland)|July 28, 2022
Cancer-Associated Mutations of the Adenosine A<sub>2A</sub> Receptor Have Diverse Influences on Ligand Binding and Receptor FunctionsChenlin Feng, Xuesong Wang, Willem Jespers, et al.
Journal of Chemical Information and Modeling|April 29, 2020
Successive Statistical and Structure-Based Modeling to Identify Chemically Novel Kinase InhibitorsLindsey Burggraaff, Eelke B Lenselink, Willem Jespers, et al.
Purinergic Signalling|June 15, 2024
Exploring novel dilazep derivatives as hENT1 inhibitors and potentially covalent molecular toolsMajlen A Dilweg, Marina Gorostiola González, Martijn D de Ruiter, et al.
Antimicrobial Agents and Chemotherapy|April 20, 2021
Structural Insights into the Mechanisms of Action of Functionally Distinct Classes of Chikungunya Virus Nonstructural Protein 1 InhibitorsKristina Kovacikova, Marina Gorostiola González, Rhian Jones, et al.
Journal of Cheminformatics|November 15, 2024
QSPRpred: a Flexible Open-Source Quantitative Structure-Property Relationship Modelling ToolHelle W van den Maagdenberg, Martin Šícho, David Alencar Araripe, et al.
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