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Journal of Virology|September 10, 2025
The mammalian SKI complex is a broad-spectrum antiviral drug target that upregulates cellular cholesterol to inhibit viral replicationStuart Weston, Lauren Baracco, Louis Taylor, et al.
Journal of Molecular Biology|February 22, 2011
Electrostatic interactions mediate binding of obscurin to small ankyrin 1: biochemical and molecular modeling studiesBen Busby, Taiji Oashi, Chris D Willis, et al.
Journal of Computational Chemistry|May 13, 2008
Additive empirical force field for hexopyranose monosaccharidesOlgun Guvench, Shannon N Greene, Ganesh Kamath, et al.
Cancer Research|May 3, 2008
Rational design of human DNA ligase inhibitors that target cellular DNA replication and repairXi Chen, Shijun Zhong, Xiao Zhu, et al.
Bioorganic & Medicinal Chemistry Letters|September 27, 2006
Characterization of ATP-independent ERK inhibitors identified through in silico analysis of the active ERK2 structureFengming Chen, Chad N Hancock, Alba T Macias, et al.
Journal of Pharmaceutical Sciences|November 2, 2020
Toward Biotherapeutics Formulation Composition Engineering using Site-Identification by Ligand Competitive Saturation (SILCS)Sandeep Somani, Sunhwan Jo, Renuka Thirumangalathu, et al.
RSC Medicinal Chemistry|September 12, 2022
Scaffold hopping from indoles to indazoles yields dual MCL-1/BCL-2 inhibitors from MCL-1 selective leadsBrandon Drennen, Christopher C Goodis, Nathan Bowen, et al.
Journal of Chemical Information and Modeling|February 19, 2015
Mapping functional group free energy patterns at protein occluded sites: nuclear receptors and G-protein coupled receptorsSirish Kaushik Lakkaraju, Wenbo Yu, E Prabhu Raman, et al.
Pharmaceutical Development and Technology|April 25, 2022
Cholecalciferol complexation with hydroxypropyl-β-cyclodextrin (HPBCD) and its molecular dynamics simulationFang Wang, Wenbo Yu, Carmen Popescu, et al.
Journal of Chemical Theory and Computation|December 3, 2015
Atomic Level Anisotropy in the Electrostatic Modeling of Lone Pairs for a Polarizable Force Field Based on the Classical Drude OscillatorEdward Harder, Victor M Anisimov, Igor V Vorobyov, et al.
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