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Journal of Biomolecular Structure & Dynamics|September 6, 2014
Identification of potent inhibitors against snake venom metalloproteinase (SVMP) using molecular docking and molecular dynamics studiesSathishkumar Chinnasamy, Selvakkumar Chinnasamy, Selvaraman Nagamani, et al.Journal of Biomolecular Structure & Dynamics|January 31, 2018
Identification of the hot spot residues for pyridine derivative inhibitor CCT251455 and ATP substrate binding on monopolar spindle 1 (MPS1) kinase by molecular dynamic simulationKai Chen, Wenxiu Duan, Qianqian Han, et al.Journal of Biomolecular Structure & Dynamics|January 31, 2018
Relative orientation of collagen molecules within a fibril: a homology model for homo sapiens type I collagenThomas A Collier, Anthony Nash, Helen L Birch, et al.Journal of Biomolecular Structure & Dynamics|October 20, 2017
Computational revelation of binding mechanisms of inhibitors to endocellular protein tyrosine phosphatase 1B using molecular dynamics simulationsFangfang Yan, Xinguo Liu, Shaolong Zhang, et al.Journal of Biomolecular Structure & Dynamics|February 9, 2018
In-silico screening and validation of high-affinity tetra-peptide inhibitor of Leishmania donovani O-acetyl serine sulfhydrylase (OASS)Vishnu Kant, Saravanan Vijayakumar, Ganesh Chandra Sahoo, et al.Journal of Biomolecular Structure & Dynamics|November 23, 2017
Computational screening of fatty acid synthase inhibitors against thioesterase domainWanwisa Panman, Bodee Nutho, Supakarn Chamni, et al.Journal of Biomolecular Structure & Dynamics|January 19, 2018
Prediction of structural consequences for disease causing variants in C21orf2 protein using computational approachesShalini Iyer, K Ravi Acharya, Vasanta SubramanianJournal of Biomolecular Structure & Dynamics|December 7, 2017
An unexpected switch in peptide binding mode: from simulation to substrate specificityUrsula Kahler, Julian E Fuchs, Peter Goettig, et al.Journal of Biomolecular Structure & Dynamics|December 16, 2017
Molecular mechanisms of allosteric probe dependence in μ opioid receptorDamian Bartuzi, Agnieszka A Kaczor, Dariusz MatosiukJournal of Biomolecular Structure & Dynamics|November 30, 2017
In silico evaluation of the resistance of the T790M variant of epidermal growth factor receptor kinase to cancer drug ErlotinibInderpal Singh, Shashank Singh, Vijeshwar Verma, et al.Pageof 931