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Journal of Biomolecular Structure & Dynamics|June 8, 2023
Pharmacoinformatics approach for the screening of KovidraPallavi More-Adate, Kiran Bharat Lokhande, Ashish Shrivastava, et al.Journal of Biomolecular Structure & Dynamics|June 8, 2023
Molecular modelling, docking and network analysis of phytochemicals from Haritaki churna: role of protein cross-talks for their actionMd Rafi Uz Zama Khan, Vishal TrivediJournal of Biomolecular Structure & Dynamics|June 1, 2023
Semi-synthesized anticancer theobromine derivatives targeting VEGFR-2: in silico and in vitro evaluationsMohammed A Dahab, Hazem A Mahdy, Hazem Elkady, et al.Journal of Biomolecular Structure & Dynamics|June 1, 2023
Flavonostilbenes natural hybrids from Rhamnoneuron balansae as potential antitumors targeting ALDH1A1: molecular docking, ADMET, MM-GBSA calculations and molecular dynamics studiesTilal Elsaman, Iqrar Ahmad, Eyman Mohamed Eltayib, et al.Journal of Biomolecular Structure & Dynamics|May 26, 2023
Artifical intelligence: a virtual chemist for natural product drug discoveryShefali Arora, Sukanya Chettri, Versha Percha, et al.Journal of Biomolecular Structure & Dynamics|February 28, 2026
In-silico interaction of molecules from Foeniculum vulgare methanolic seed extract with conserved RNA binding residues of NS3 protein of Dengue virusAyesha Tazeen, Rafat Ali, Anam Parvez, et al.Journal of Biomolecular Structure & Dynamics|February 19, 2026
Binding investigation of Ribociclib to human α-1-acid glycoprotein with spectroscopic and computational simulation approachesLiang Han, Yan-Fei Jin, Li Li, et al.Journal of Biomolecular Structure & Dynamics|May 24, 2025
Identification of potential IL4I1 inhibitors through structure-based virtual screening and molecular dynamics simulationsXuan Zhao, Jing Chen, Mengyi Shan, et al.Journal of Biomolecular Structure & Dynamics|June 28, 2023
Building polarization into protein-inhibitor binding dynamics in rational drug design for rheumatoid arthritisGurvisha Sandhu, Praveen Agrawal, Surojit Bose, et al.Journal of Biomolecular Structure & Dynamics|June 27, 2023
Structure-based identification of potential inhibitors of ribosomal protein S6 kinase 1, targeting cancer therapy: a combined docking and molecular dynamics simulations approachAfsar Alam, Mohammad Shahzeb Khan, Yash Mathur, et al.Pageof 932