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Molecular Informatics|July 9, 2021
Computational Designing and Prediction of ADMET Properties of Four Novel Imidazole-based Drug Candidates Inhibiting Heme Oxygenase-1 Causing CancersMijanur Rahman, Asma Talukder, Rekha Akter
Molecular Informatics|August 25, 2016
Computational Approaches to the Chemical Equilibrium Constant in Protein-ligand BindingJoel José Montalvo-Acosta, Marco Cecchini
Molecular Informatics|September 25, 2018
Data Curation can Improve the Prediction Accuracy of Metabolic Intrinsic ClearanceTsuyoshi Esaki, Reiko Watanabe, Hitoshi Kawashima, et al.
Molecular Informatics|April 11, 2019
QSAR Analysis of a Series of Hydantoin-based Androgen Receptor Modulators and Corresponding Binding AffinitiesXin Wang, Wenya Han, Jiazhong Li
Molecular Informatics|April 13, 2019
Filling Data Gaps by Read-across: A Mini Review on its Application, Developments and ChallengesSimona Kovarich, Lidia Ceriani, Mojca Fuart Gatnik, et al.
Molecular Informatics|October 12, 2018
Structure-based Discovery of Novel CK2α-Binding Cyclic Peptides with Anti-cancer ActivityShan Tang, Na Zhang, Yue Zhou, et al.
Molecular Informatics|August 23, 2016
Mind the Gap! A Journey towards Computational ToxicologyGiuseppe Felice Mangiatordi, Domenico Alberga, Cosimo Damiano Altomare, et al.
Molecular Informatics|August 23, 2016
Homology Modeling, Validation and Dynamics of the G Protein-coupled Estrogen Receptor 1 (GPER-1)Agostino Bruno, Francesca Aiello, Gabriele Costantino, et al.
Molecular Informatics|August 23, 2016
Further Insights in the Binding Mode of Selective Inhibitors to Human PDE4D Enzyme Combining Docking and Molecular DynamicsPasqualina D'Ursi, Sara Guariento, Gabriele Trombetti, et al.
Molecular Informatics|August 23, 2016
Simulation and Comparative Analysis of Different Binding Modes of Non-nucleoside Agonists at the A2A Adenosine ReceptorDiego Dal Ben, Michela Buccioni, Catia Lambertucci, et al.
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