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9 ta ish

Ish: Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

  1. Rational design of ion force fields based on thermodynamic solvation properties

    Dominik Horinek, Shavkat Mamatkulov, Roland R. Netz

    MaqolaSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics20097 iqtibos
    ABI

  2. Water-separated ion pairs cause the slow dielectric mode of magnesium sulfate solutions

    Shavkat Mamatkulov, Klaus F. Rinne, Richard Buchner +2

    MaqolaSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics20181 iqtibos
    ABI

  3. MD Simulations of the P53 oncoprotein structure: the effect of the Arg273→His mutation on the DNA binding domain

    Kholmirzo Kholmurodov, Ermuhammad Dushanov, Kenji Yasuoka

    MaqolaCancer-related Molecular PathwaysAdvances in Bioscience and Biotechnology20110 iqtibos
    ABI

  4. Molecular dynamics simulations of a DNA photolyase protein: High-mobility and conformational changes of the FAD molecule at low temperatures

    Kholmirzo Kholmurodov, Ermuhammad Dushanov, Kenji Yasuoka

    MaqolaLight effects on plantsAdvances in Bioscience and Biotechnology20120 iqtibos
    ABI

  5. MD studies on conformational behavior of a DNA photolyase enzyme

    Ermuhammad Dushanov, Kholmirzo Kholmurodov, Kenji Yasuoka +1

    MaqolaLight effects on plantsPhysics of Particles and Nuclei Letters20130 iqtibos
    ABI

  6. A Novel Approach to Simulate a Charge Transfer in DNA Repair by an Anacystis nidulans Photolyase

    Ermuhammad Dushanov, Kholmirzo Kholmurodov

    MaqolaLight effects on plantsThe Open Biochemistry Journal20140 iqtibos
    ABI

  7. Self-assembly of bis-salphen compounds: from semiflexible chains to webs of nanorings

    Sergey Pyrlin, Nicholas D. M. Hine, Arjan W. Kleij +1

    MaqolaMolecular Junctions and NanostructuresSoft Matter20180 iqtibos
    ABI

  8. One-step synthesis of picolinohydrazides from fusaric acid: DFT, structural characterization and molecular inhibitory studies on metastatic tumor-derived exosomal and non-exosomal proteins

    Krishnan Anand, Muthusamy Ramesh, Thishana Singh +14

    MaqolaHeat shock proteins researchJournal of Molecular Structure20220 iqtibos
    ABI

  9. Unveiling the Borohydride Ion through Force-Field Development

    Shavkat Mamatkulov, Jakub Polák, Jamoliddin Razzokov +5

    MaqolaHydrogen Storage and MaterialsJournal of Chemical Theory and Computation20240 iqtibos
    ABI