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Journal of Biomolecular Structure & Dynamics|September 12, 2022
Molecular insights into the interaction of apo-lactoferrin with the receptor binding domain of the SARS-CoV-2 spike protein: a molecular dynamics simulation studyKevion K Darmawan, Tom C Karagiannis, Jeff G Hughes, et al.Elife|July 20, 2022
µ-Theraphotoxin Pn3a inhibition of CaV3.3 channels reveals a novel isoform-selective drug binding siteJeffrey R McArthur, Jierong Wen, Andrew Hung, et al.Critical Reviews in Food Science and Nutrition|May 3, 2022
Molecular modeling of lactoferrin for food and nutraceutical applications: insights from in silico techniquesKevion K Darmawan, Tom C Karagiannis, Jeff G Hughes, et al.Frontiers in Chemistry|December 28, 2020
Identification of Small Molecule Inhibitors of the Deubiquitinating Activity of the SARS-CoV-2 Papain-Like Protease: in silico Molecular Docking Studies and in vitro Enzymatic Activity AssayEleni Pitsillou, Julia Liang, Katherine Ververis, et al.Journal of Molecular Graphics & Modelling|October 23, 2012
Investigation of a predicted N-terminal amphipathic α-helix using atomistic molecular dynamics simulation of a complete prototype poliovirus virionJason A Roberts, Michael J Kuiper, Bruce R Thorley, et al.Computers in Biology and Medicine|September 24, 2023
Mechanisms of Nelumbinis folium targeting PPARγ for weight management: A molecular docking and molecular dynamics simulations studyAnn Rann Wong, Angela Wei Hong Yang, Harsharn Gill, et al.Plos One|June 30, 2023
Poria cocos compounds targeting neuropeptide Y1 receptor (Y1R) for weight management: A computational ligand- and structure-based study with molecular dynamics simulations identified beta-amyrin acetate as a putative Y1R inhibitorAnn Rann Wong, Andrew Hung, Angela Wei Hong Yang, et al.Chemical Physics Letters|December 28, 2021
Investigation of small molecule inhibitors of the SARS-CoV-2 papain-like protease by all-atom microsecond modelling, PELE Monte Carlo simulations, and in vitro activity inhibitionJulia J Liang, Eleni Pitsillou, Katherine Ververis, et al.Neuroimage. Clinical|March 14, 2023
Connectome-based predictive modeling for functional recovery of acute ischemic strokeSyu-Jyun Peng, Yu-Wei Chen, Andrew Hung, et al.International Journal of Molecular Sciences|April 25, 2020
The Effects of a Weight-Loss Herbal Formula RCM-107 and Its Eight Individual Ingredients on Glucagon-Like Peptide-1 Secretion-An In Vitro and In Silico StudyShiqi Luo, Harsharn Gill, Bryce Feltis, et al.Pageof 25