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Journal of Biomolecular Structure & Dynamics|August 13, 2019
Design, synthesis, biological evaluation and molecular dynamics simulation studies of (R)-5-methylthiazolidin-4-One derivatives as megakaryocyte protein tyrosine phosphatase 2 (PTP-MEG2) inhibitors for the treatment of type 2 diabetesJingwei Wu, Yingzhan Sun, Hui Zhou, et al.Journal of Biomolecular Structure & Dynamics|April 2, 2019
Identification of novel small molecule non-peptidomimetic inhibitor for prolyl oligopeptidase through in silico and in vitro approachesApeksha Shrivastava, Shubham Srivastava, Ruchi Malik, et al.Journal of Biomolecular Structure & Dynamics|August 30, 2019
Novel AChE and BChE inhibitors using combined virtual screening, text mining and in vitro binding assaysKader Sahin, Belma Zengin Kurt, Fatih Sonmez, et al.Journal of Biomolecular Structure & Dynamics|September 10, 2019
Structural insights into the interactions of flavin mononucleotide (FMN) and riboflavin with FMN riboswitch: a molecular dynamics simulation studyPadmaja D Wakchaure, Kalyanashis Jana, Bishwajit GangulyJournal of Biomolecular Structure & Dynamics|September 4, 2019
The effects of nickel oxide nanoparticles on structural changes, heme degradation, aggregation of hemoglobin and expression of apoptotic genes in lymphocytesNiusha Abbasi Gamasaee, Hawzheen A Muhammad, Elahe Tadayon, et al.Journal of Biomolecular Structure & Dynamics|August 27, 2019
A computational approach to explore and identify potential herbal inhibitors for the p21-activated kinase 1 (PAK1)Md Shahinozzaman, Takahiro Ishii, Sinthyia Ahmed, et al.Journal of Biomolecular Structure & Dynamics|August 7, 2019
Structure-based design of selective histone deacetylase 6 zinc binding groupsLeandro A Alves Avelar, Dusan Ruzic, Nemanja Djokovic, et al.Journal of Biomolecular Structure & Dynamics|August 6, 2019
Structure-based drug target prioritisation and rational drug design for targeting Chlamydia trachomatis eye infectionsAnupriya Sadhasivam, Hemavathy Nagarajan, Vetrivel UmashankarJournal of Biomolecular Structure & Dynamics|August 9, 2019
Energetically optimized pharmacophore modeling to identify dual negative allosteric modulators against group I mGluRs in neurodegenerative diseasesSitrarasu Vijaya Prabhu, Sanjeev Kumar SinghJournal of Biomolecular Structure & Dynamics|September 19, 2019
Hit identification and drug repositioning of potential non-nucleoside reverse transcriptase inhibitors by structure-based approach using computational tools (part II)Pretisha Flora Cutinho, Ravi C Shankar, Avinash Anand, et al.Pageof 933