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Journal of Biomolecular Structure & Dynamics|September 15, 2023
Mutational analyses, pharmacophore-based inhibitor design and in silico validation for Zika virus NS3-helicaseLaxman Durgam, Jishu Pagag, Y Indra Neela, et al.Journal of Biomolecular Structure & Dynamics|September 20, 2023
Structural dynamics of the RNA dependent RNA polymerase of H1N1 strain affecting humans: a bioinformatics approachMahesh Samantaray, Shilpa Sri Pushan, Muthukumaran Rajagopalan, et al.Journal of Biomolecular Structure & Dynamics|September 20, 2023
Probing the interaction and aggregation of lysozyme in presence of organophosphate pesticides: a comprehensive spectroscopic, calorimetric, and in-silico investigationRushali Dudure, Ritika Joshi, Pulak Pritam, et al.Journal of Biomolecular Structure & Dynamics|September 15, 2023
SARS-CoV-2 external structures interacting with nanospheres using docking and molecular dynamicsAnderson Yuri Martins da Silva, Tiago da Silva Arouche, Marcelo Ricardo Souza Siqueira, et al.Journal of Biomolecular Structure & Dynamics|September 5, 2023
Mangiferin from Enicostemma littorale Blume with in silico and in vitro anti-inflammatory potentialNiraj Kumar, Nancy Tripathi, Sanjeev Kumar, et al.Journal of Biomolecular Structure & Dynamics|September 5, 2023
Identification and molecular docking of novel chikungunya virus NSP4 inhibitory peptides from camel milk proteinsHassan I Alguridi, Faisal Alzahrani, Safar Almalki, et al.Journal of Biomolecular Structure & Dynamics|September 6, 2023
A biochemistry-oriented drug design: synthesis, anticancer activity, enzymes inhibition, molecular docking studies of novel 1,2,4-triazole derivativesKarpenko Yuriy, Gulnur Kusdemir, Parchenko Volodymyr, et al.Journal of Biomolecular Structure & Dynamics|September 1, 2023
In silico research on new sulfonamide derivatives as BRD4 inhibitors targeting acute myeloid leukemia using various computational techniques including 3D-QSAR, HQSAR, molecular docking, ADME/Tox, and molecular dynamicsEtibaria Belghalia, Mohamed Ouabane, Salma El Bahi, et al.Journal of Biomolecular Structure & Dynamics|August 26, 2023
Quantum biochemistry description of PI3Kα enzyme bound to selective inhibitorsFrancisca Joseli Freitas de Sousa, Francisca Fernanda Nunes Azevedo, Francisco Lucas Santos de Oliveira, et al.Journal of Biomolecular Structure & Dynamics|August 28, 2023
Phytocompound identification of aqueous Zingiber officinale rhizome (ZOME) extract reveals antiproliferative and reactive oxygen species mediated apoptotic induction within cervical cancer cells: an in vitro and in silico approachMohd Hasan Mujahid, Tarun Kumar Upadhyay, Vijay Upadhye, et al.Pageof 935