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Journal of Molecular Modeling|August 17, 2021
Simulation and computational study of graphene oxide nano-carriers, absorption, and release of the anticancer drug of camptothecinOmid Moradi, Leila MahdavianJournal of Molecular Modeling|August 17, 2021
Assigning secondary structure in proteins using AIJisna Vellara Antony, Prayagh Madhu, Jayaraj Pottekkattuvalappil Balakrishnan, et al.Journal of Molecular Modeling|August 20, 2021
Isomerization energies and surface electrostatic potential analyses on nitriles and isocyanidesYanyun Zhao, Xueli ChengJournal of Molecular Modeling|August 9, 2021
Titanium-benzene complex as a molecular oxide adsorbent: a first principles approachNilesh Ingale, Priyanka Tavhare, Mohammad Solimannejad, et al.Journal of Molecular Modeling|August 10, 2021
Electrochemical sensing behavior of graphdiyne nanoflake towards uric acid: a quantum chemical approachMisbah Asif, Hasnain Sajid, Khurshid Ayub, et al.Journal of Molecular Modeling|May 23, 2021
Theoretical study by DFT of organometallic complexes based on metallocenes active in NLOMadjid Dairi, Abdelkader M Elhorri, Noureddine Tchouar, et al.Journal of Molecular Modeling|August 11, 2021
Mathematical energy minimization model for joining boron nitride fullerene with several BN nanostructuresNawa A AlshammariJournal of Molecular Modeling|August 25, 2021
Pharmacophore modeling and 3D-QSAR study for the design of novel α-synuclein aggregation inhibitorsJixia Yang, Jiajing Hu, Gongzheng Zhang, et al.Journal of Molecular Modeling|August 25, 2021
A molecular dynamics study of protein denaturation induced by sulfonate-based surfactantsArmen H Poghosyan, Aram A Shahinyan, Gayane R Kirakosyan, et al.Journal of Molecular Modeling|December 15, 2004
ProPose: a docking engine based on a fully configurable protein-ligand interaction modelMarkus H J Seifert, Frank Schmitt, Thomas Herz, et al.Pageof 693