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Journal of Biomolecular Structure & Dynamics|November 30, 2017
Potential natural mTOR inhibitors screened by in silico approach and suppress hepatic stellate cells activationVaradharajan Thiyagarajan, Kuan-Wei Lee, Max K Leong, et al.Journal of Biomolecular Structure & Dynamics|December 1, 2017
Loading efficacy and binding analysis of retinoids with milk proteins: a short reviewD Agudelo, P Bourassa, J Bariyanga, et al.Journal of Biomolecular Structure & Dynamics|December 17, 2017
Exploring the nature of the H-bonds between the human class II MHC protein, HLA-DR1 (DRB*0101) and the influenza virus hemagglutinin peptide, HA306-318, using the quantum theory of atoms in moleculesYosslen Aray, Ricardo Aguilera-García, Daniel R IzquierdoJournal of Biomolecular Structure & Dynamics|November 29, 2017
Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer's diseaseSaleem Iqbal, Dhanabalan Anantha Krishnan, Krishnasamy GunasekaranJournal of Biomolecular Structure & Dynamics|December 14, 2017
Understanding the interactions of different substrates with wild-type and mutant acylaminoacyl peptidase using molecular dynamics simulationsJingxuan Zhu, Yan Wang, Xin Li, et al.Journal of Biomolecular Structure & Dynamics|December 20, 2017
Structural basis of flavonoids as dengue polymerase inhibitors: insights from QSAR and docking studiesShanmugam Anusuya, M Michael GromihaJournal of Biomolecular Structure & Dynamics|November 3, 2017
Characterization of domain-specific interaction of synthesized dye with serum proteins by spectroscopic and docking approaches along with determination of in vitro cytotoxicity and antiviral activitySuparna Rudra, Somnath Dasmandal, Chiranjit Patra, et al.Journal of Biomolecular Structure & Dynamics|November 3, 2017
Cooperativity effect involving drug-DNA/RNA intermolecular interaction: A B3LYP-D3 and MP2 theoretical investigation on ketoprofen⋯cytosine⋯H2O systemJun-Ping Zhen, Xiao-Chun Wei, Wen-Jing Shi, et al.Journal of Biomolecular Structure & Dynamics|February 10, 2018
Combinatorial peptide library screening for discovery of diverse α-glucosidase inhibitors using molecular dynamics simulations and binary QSAR modelsAdriano Mollica, Gokhan Zengin, Serdar Durdagi, et al.Journal of Biomolecular Structure & Dynamics|March 13, 2018
Molecular dynamics simulations reveal structural insights into inhibitor binding modes and mechanism of casein kinase II inhibitorsZaheer Ul-Haq, Sajda Ashraf, Majdi M BkhaitanPageof 931