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Journal of Chemical Theory and Computation|December 19, 2023
Accurate Computation of Thermodynamic Activation Parameters in the Chorismate Mutase Reaction from Empirical Valence Bond SimulationsRyan Scott Wilkins, Bjarte Aarmo Lund, Geir Villy Isaksen, et al.
Methods in Molecular Biology (Clifton, N.J.)|January 8, 2015
Computer-aided design of GPCR ligandsHugo Gutiérrez-de-Terán, Henrik Keränen, Jhonny Azuaje, et al.
Communications Chemistry|November 20, 2025
Accurate predictions of protein mutational effects accelerated with a hybrid-topology free energy protocolLucien Koenekoop, Nadine van de Brug, Willem Jespers, et al.
Archives of Biochemistry and Biophysics|March 4, 2015
Modeling the mechanisms of biological GTP hydrolysisAlexandra T P Carvalho, Klaudia Szeler, Konstantinos Vavitsas, et al.
Biochimica Et Biophysica Acta. General Subjects|January 9, 2020
Identification and characterization of fragment binding sites for allosteric ligand design using the site identification by ligand competitive saturation hotspots approach (SILCS-Hotspots)Alexander D MacKerell, Sunhwan Jo, Sirish Kaushik Lakkaraju, et al.
Proceedings of the National Academy of Sciences of the United States of America|December 21, 2010
pH-sensitivity of the ribosomal peptidyl transfer reaction dependent on the identity of the A-site aminoacyl-tRNAMagnus Johansson, Ka-Weng Ieong, Stefan Trobro, et al.
Methods in Molecular Biology (Clifton, N.J.)|December 1, 2017
Characterization of Ligand Binding to GPCRs Through Computational MethodsSilvana Vasile, Mauricio Esguerra, Willem Jespers, et al.
Molecules (Basel, Switzerland)|November 11, 2017
Structure-Based Design of Potent and Selective Ligands at the Four Adenosine ReceptorsWillem Jespers, Ana Oliveira, Rubén Prieto-Díaz, et al.
Scientific Reports|March 15, 2020
Author Correction: Inhibition of translation termination by small molecules targeting ribosomal release factorsXueliang Ge, Ana Oliveira, Karin Hjort, et al.
Scientific Reports|October 30, 2019
Inhibition of translation termination by small molecules targeting ribosomal release factorsXueliang Ge, Ana Oliveira, Karin Hjort, et al.
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