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Journal of Biomolecular Structure & Dynamics|March 7, 2022
In silico screening of the effectiveness of natural compounds from algae as SARS-CoV-2 inhibitors: molecular docking, ADMT profile and molecular dynamic studiesHani S H Mohammed Ali, Hisham N Altayb, Ahmed Atef Mohamed Bayoumi, et al.Journal of Biomolecular Structure & Dynamics|March 7, 2022
An integrated computational approach to screening of alkaloids inhibitors of TBX3 in breast cancer cell linesAnjasu Paul, Md Belayet Hasan Limon, Md Mobarok Hossain, et al.Journal of Biomolecular Structure & Dynamics|January 24, 2022
Ligand pathways in estrogen-related receptorsAndré Fischer, Ferhat Bardakci, Manuel Sellner, et al.Journal of Biomolecular Structure & Dynamics|January 25, 2022
Computational investigations on the potential role of hygrophorones as quorum sensing inhibitors against LasR protein of Pseudomonas aeruginosaAnu Dalal, Tushar Kushwaha, Gourav Choudhir, et al.Journal of Biomolecular Structure & Dynamics|January 25, 2022
Atomistic mechanism of leptin and leptin-receptor associationMarisol López-Hidalgo, Luis A Caro-Gómez, Rubí Romo-Rodríguez, et al.Journal of Biomolecular Structure & Dynamics|January 25, 2022
Descriptor-free QSAR: effectiveness in screening for putative inhibitors of FGFR1I Y Joel, L A Sulaimon, M O Idris, et al.Journal of Biomolecular Structure & Dynamics|June 25, 2019
Can a retro-polypeptide fold into a globule?Victor P Kutyshenko, Mars G Sharapov, Vladimir N UverskyJournal of Biomolecular Structure & Dynamics|June 25, 2019
Insight derived from molecular dynamics simulation into cold-adaptation mechanism of trypsinsLi-Quan Yang, Yi-Rui Yin, Jian-Xin Shen, et al.Journal of Biomolecular Structure & Dynamics|June 25, 2019
Protein-ligand interaction-guided discovery of novel VEGFR-2 inhibitorsYanmin Zhang, Mingliang Zhang, Yuchen Wang, et al.Journal of Biomolecular Structure & Dynamics|June 25, 2019
Prediction and validation of HIV-1 gp41 ecto-transmembrane domain post-fusion trimeric structure using molecular modelingBiswajit Gorai, Satyabrata Das, Prabal K MaitiPageof 930