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In Silico Binding Free Energy Predictability by Using the Linear Interaction Energy (LIE) Method: Bromobenzimidazole CK2 Inhibitors as a Case Study., and . Journal of Chemical Information and Modeling, 47 (2): 572-582 (2007)Estimation of kinetic and thermodynamic ligand-binding parameters using computational strategies, and . Future Medicinal Chemistry, 9 (5): 507-523 (2017)PMID: 28362130.PCA-Based Representations of Graphs for Prediction in QSAR Studies., , , and . ICANN (2), volume 5769 of Lecture Notes in Computer Science, page 105-114. Springer, (2009)Fighting Antimicrobial Resistance: Insights on How the Staphylococcus aureus NorA Efflux Pump Recognizes 2-Phenylquinoline Inhibitors by Supervised Molecular Dynamics (SuMD) and Molecular Docking Simulations., , , , , , and . J. Chem. Inf. Model., 63 (15): 4875-4887 (August 2023)Uav-Borne Bistatic Sar and Insar Experiments in Support of STV and SDC Target Observables., , , , , , , , and . IGARSS, page 1906-1909. IEEE, (2023)Linear and Nonlinear 3D-QSAR Approaches in Tandem with Ligand-Based Homology Modeling as a Computational Strategy To Depict the Pyrazolo-Triazolo-Pyrimidine Antagonists Binding Site of the Human Adenosine A2A Receptor., , , , , , , , , and . J. Chem. Inf. Model., 48 (2): 350-363 (2008)MMsINC®: A New Public Large-Scale Chemoinformatics Database System., , , , , , , , and . BIOTECHNO, page 64-69. IEEE Computer Society, (2008)Halogen Bonds in Ligand-Protein Systems: Molecular Orbital Theory for Drug Design., , , , , , and . J. Chem. Inf. Model., 60 (3): 1317-1328 (2020)Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A2A adenosine receptor orthosteric binding site using a molecular docking approach? Insights from Dockbench., , and . J. Comput. Aided Mol. Des., 32 (12): 1337-1346 (2018)Fingerprint-based detection of acute aquatic toxicity., , , , and . J. Cheminformatics, 2 (S-1): 46 (2010)