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Journal of Biomolecular Structure & Dynamics|October 20, 2022
Novel Eubacterium rectale inhibitor from Coriandrum sativum L. for possible prevention of colorectal cancer: a computational approachKhalil El Khatabi, Shashank Kumar, Reda El-Mernissi, et al.Journal of Biomolecular Structure & Dynamics|October 20, 2022
Rapamycin and Torin2 inhibit Candida auris TOR: Insights through growth profiling, docking, and MD simulationsBiswambhar Biswas, Garima Gangwar, Vikrant Nain, et al.Journal of Biomolecular Structure & Dynamics|October 20, 2022
Exploring STAT3 stimulatory potential of novel wound healing molecules by virtual screening and molecular dynamics simulationsSubodh Kumar, Somya Chaaudhary, Prateek Paul, et al.Journal of Biomolecular Structure & Dynamics|October 21, 2022
Molecular docking and dynamic simulation studies of α4β2 and α7 nicotinic acetylcholine receptors with tobacco smoke constituents nicotine, NNK and NNNA M Thasweer, P Renuka Devi, Velusamy ThirunavukkarasuJournal of Biomolecular Structure & Dynamics|April 30, 2016
Mechanistic studies of new oximes reactivators of human butyryl cholinesterase inhibited by cyclosarin and sarinWillian E Amaral de Lima, Ander Francisco, Elaine F F da Cunha, et al.Journal of Biomolecular Structure & Dynamics|April 30, 2016
Influence of V54M mutation in giant muscle protein titin: a computational screening and molecular dynamics approachD Thirumal Kumar, C George Priya Doss, P Sneha, et al.Journal of Biomolecular Structure & Dynamics|May 4, 2016
Prediction of a novel internal rearrangement of the insulin receptorKei C Sit, Derek van Lonkhuyzen, Terry Walsh, et al.Journal of Biomolecular Structure & Dynamics|May 5, 2016
Binding mode exploration of LuxR-thiazolidinedione analogues, e-pharmacophore-based virtual screening in the designing of LuxR inhibitors and its biological evaluationSundaraj Rajamanikandan, Jeyaraman Jeyakanthan, Pappu SrinivasanJournal of Biomolecular Structure & Dynamics|February 8, 2021
Targeting the N-terminal domain of the RNA-binding protein of the SARS-CoV-2 with high affinity natural compounds to abrogate the protein-RNA interaction: a molecular dynamics studySohail Khan, Zahid Hussain, Muhammad Safdar, et al.Journal of Biomolecular Structure & Dynamics|February 8, 2021
Structural analysis of alternate sigma factor ComX with RpoC, RpoB and its cognate CIN promoter reveals a distinctive promoter melting mechanismP C Kunthavai, Muthu Kannan, Preethi RagunathanPageof 931