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Journal of Biomolecular Structure & Dynamics|August 5, 2022
Flap sub-domain dynamics of serine-threonine phosphatase (Stp1) of Staphylococcus aureus: an accelerated molecular dynamics simulation studyPranabesh Mandal, Priyanka Rani, Girish Chandra, et al.Journal of Biomolecular Structure & Dynamics|August 8, 2022
Structural aspects of SARS-CoV-2 mutations: Implications to plausible infectivity with ACE-2 using computational modeling approachPriyanka Gopi, Manisha Gurnani, Shweta Singh, et al.Journal of Biomolecular Structure & Dynamics|August 26, 2021
Antiproliferative activity on Trypanosoma cruzi (Y strain) of the triterpene 3β,6β,16β-trihidroxilup-20 (29)-ene isolated from Combretum leprosumJosé Ismael F de Araújo, Natália L Aires, Francisco W Q Almeida-Neto, et al.Journal of Biomolecular Structure & Dynamics|August 10, 2022
Ab initio modelling of an essential mammalian protein: Transcription Termination Factor 1 (TTF1)Kumud Tiwari, Aditi Gangopadhyay, Gajender Singh, et al.Journal of Biomolecular Structure & Dynamics|September 8, 2021
Understanding the molecular interaction of SARS-CoV-2 spike mutants with ACE2 (angiotensin converting enzyme 2)Erman Salih Istifli, Paulo A Netz, Arzuhan Sihoglu Tepe, et al.Journal of Biomolecular Structure & Dynamics|September 20, 2021
Molecular modeling and dynamics studies of the synthetic small molecule agonists with GPR17 and P2Y1 receptorAkshaya Murugesan, Phung Nguyen, Thiyagarajan Ramesh, et al.Journal of Biomolecular Structure & Dynamics|August 3, 2022
Design, synthesis, extra-precision docking, and molecular dynamics simulation studies of pyrrolidin-2-one derivatives as potential acetylcholinesterase inhibitorsMohan Gupta, Avinash Kumar, Chakrawarti Prasun, et al.Journal of Biomolecular Structure & Dynamics|May 26, 2020
Fluorinated-antioxidant derivatives with improved pharmacological activity: a theoretical studyYan Zhang, Dongmei Dou, Wei GuJournal of Biomolecular Structure & Dynamics|May 26, 2020
Molecular insights into the loading and dynamics of anticancer drugs on silicene and folic acid-conjugated silicene nanosheets: DFT calculation and MD simulationLeila Razavi, Heidar Raissi, Hassan Hashemzadeh, et al.Journal of Biomolecular Structure & Dynamics|May 26, 2020
Tracing Brucella evolutionary dynamics in expanding host ranges through nucleotide, codon and amino acid usages in genomesJian-Hua Zhou, Hua Li, Xuerui Li, et al.Pageof 932