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Journal of Biomolecular Structure & Dynamics|September 27, 2017
Structure-based virtual screening toward the discovery of novel inhibitors for impeding the protein-protein interaction between HIV-1 integrase and human lens epithelium-derived growth factor (LEDGF/p75)Umesh Panwar, Sanjeev Kumar SinghJournal of Biomolecular Structure & Dynamics|October 24, 2017
Structural model of the full-length Ser/Thr protein kinase StkP from S. pneumoniae and its recognition of peptidoglycan fragmentsBenedetta Righino, Frédéric Galisson, Davide Pirolli, et al.Journal of Biomolecular Structure & Dynamics|March 27, 2018
Identifying natural compounds as multi-target-directed ligands against Alzheimer's disease: an in silico approachPravin Ambure, Jyotsna Bhat, Tomasz Puzyn, et al.Journal of Biomolecular Structure & Dynamics|November 16, 2017
Binding modes of Bcl-2 homology 3 (BH3) peptides with anti-apoptotic protein A1 and redesign of peptide inhibitors: a computational studyYantao Chen, Jun Wang, Jian Zhang, et al.Journal of Biomolecular Structure & Dynamics|November 17, 2017
Investigating the preventive effects of baicalin and gallocatechin against glyoxal-induced cystatin aggregationAamir Sohail, Waseem Feeroze Bhat, Sheraz Ahmad Bhat, et al.Journal of Biomolecular Structure & Dynamics|December 17, 2019
Computational investigation of imidazopyridine analogs as protein kinase B (Akt1) allosteric inhibitors by using 3D-QSAR, molecular docking and molecular dynamics simulationsXi Gu, Ying Wang, Mingxing Wang, et al.Journal of Biomolecular Structure & Dynamics|December 19, 2019
Investigation of conformational dynamics of Tyr89Cys mutation in protection of telomeres 1 gene associated with familial melanomaMohd Amir, Shahzaib Ahamad, Taj Mohammad, et al.Journal of Biomolecular Structure & Dynamics|January 10, 2020
In silico identification of hydantoin derivatives: a novel natural prolyl hydroxylase inhibitorMahesh Kumar Teli, Surendra Kumar, Dharmendra Kumar Yadav, et al.Journal of Biomolecular Structure & Dynamics|January 11, 2020
Dynamic actin remodeling in response to lysophosphatidic acidSaima S Mir, Hina F Bhat, Zuhaib F BhatJournal of Biomolecular Structure & Dynamics|December 21, 2019
Deciphering molecular mechanism behind conformational change of the São Paolo metallo-β-lactamase 1 by using enhanced samplingJianzhong Chen, Jinan Wang, Laixue Pang, et al.Pageof 931