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Journal of Chemical Information and Modeling|March 17, 2021
Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small MoleculesNorberto Sánchez-Cruz, José L Medina-FrancoJournal of Chemical Information and Modeling|December 10, 2021
Improving the Silicon Interactions of GFN-xTBLeonid Komissarov, Toon VerstraelenJournal of Chemical Information and Modeling|March 19, 2021
Mutation-Induced Impacts on the Switch Transformations of the GDP- and GTP-Bound K-Ras: Insights from Multiple Replica Gaussian Accelerated Molecular Dynamics and Free Energy AnalysisJianzhong Chen, Shaolong Zhang, Wei Wang, et al.Journal of Chemical Information and Modeling|March 22, 2021
Hydration Thermodynamics of Familial Parkinson's Disease-Linked Mutants of α-SynucleinLeena Aggarwal, Parbati BiswasJournal of Chemical Information and Modeling|November 15, 2021
TRPV1 Activation by Anandamide via a Unique Lipid PathwayChanté Muller, Diane L Lynch, Dow P Hurst, et al.Journal of Chemical Information and Modeling|November 15, 2021
Allosteric Effect of Nanobody Binding on Ligand-Specific Active States of the β2 Adrenergic ReceptorYue Chen, Oliver Fleetwood, Sergio Pérez-Conesa, et al.Journal of Chemical Information and Modeling|November 17, 2021
Computational Study Reveals the Role of Water Molecules in the Inhibition Mechanism of LAT1 by 1,2,3-DithiazolesMario Prejanò, Isabella Romeo, Maria Antonietta La Serra, et al.Journal of Chemical Information and Modeling|November 22, 2021
Molecular Mechanisms of Diverse Activation Stimulated by Different Biased Agonists for the β2-Adrenergic ReceptorJianfang Chen, Jiangting Liu, Yuan Yuan, et al.Journal of Chemical Information and Modeling|September 8, 2022
Rational Discovery of Microtubule-Stabilizing PeptidesBrandon Úsuga-Acevedo, Yadiris García, Carola F Díaz, et al.Journal of Chemical Information and Modeling|January 19, 2022
Effect of Oriented Electric Fields on Biologically Relevant Iron-Sulfur Clusters: Tuning Redox Reactivity for CatalysisSamuel J H Gaughan, Jonathan D Hirst, Anna K Croft, et al.Pageof 909