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65 ta ish

Ish: The effect of cysteine oxidation on conformational changes of SARS-CoV-2 spike protein using atomistic simulations

  1. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Maqola199677 iqtibos
    ABI

  2. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

    M Abraham, Teemu J. Murtola, Roland Schulz +4

    Maqola201530 iqtibos
    ABI

  3. Polymorphic transitions in single crystals: A new molecular dynamics method

    Michele Parrinello, A. Rahman

    Maqola198127 iqtibos
    ABI

  4. Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

    Tom Darden, Darrin M. York, Lee G. Pedersen

    Maqola199316 iqtibos
    ABI

  5. A smooth particle mesh Ewald method

    Ulrich Essmann, L. Perera, Max L. Berkowitz +3

    Maqola199512 iqtibos
    ABI

  6. Chemical modification of amino acids by atmospheric-pressure cold plasma in aqueous solution

    Eisuke Takai, Tsuyoshi Kitamura, Junpei Kuwabara +6

    Maqola201412 iqtibos
    ABI

  7. The Nose–Hoover thermostat

    D.J. Evans, Brad Lee Holian

    Maqola198511 iqtibos
    ABI

  8. Oxidative damage to hyaluronan–CD44 interactions as an underlying mechanism of action of oxidative stress-inducing cancer therapy

    Maksudbek Yusupov, Angela Privat‐Maldonado, Rodrigo M. Cordeiro +5

    MaqolaProteoglycans and glycosaminoglycans researchRedox Biology202110 iqtibos
    ABI

  9. Oxidation destabilizes toxic amyloid beta peptide aggregation

    Jamoliddin Razzokov, Maksudbek Yusupov, Annemie Bogaerts

    Maqola201910 iqtibos
    ABI

  10. THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method

    Shankar Kumar, John M. Rosenberg, Djamal Bouzida +2

    Maqola199210 iqtibos
    ABI

  11. Impact of plasma oxidation on structural features of human epidermal growth factor

    Maksudbek Yusupov, Jan‐Wilm Lackmann, Jamoliddin Razzokov +3

    Maqola20189 iqtibos
    ABI

  12. Oxidation of Innate Immune Checkpoint CD47 on Cancer Cells with Non-Thermal Plasma

    Abraham Lin, Jamoliddin Razzokov, Hanne Verswyvel +7

    MaqolaPlasma Applications and DiagnosticsCancers20219 iqtibos
    ABI

  13. Umbrella sampling

    Johannes Kästner

    Maqola20118 iqtibos
    ABI

  14. A molecular dynamics method for simulations in the canonical ensemble

    Shūichi Nosé

    Maqola19848 iqtibos
    ABI

  15. Canonical dynamics: Equilibrium phase-space distributions

    William G. Hoover

    Maqola19858 iqtibos
    ABI

  16. Interaction of Atmospheric-Pressure Air Microplasmas with Amino Acids as Fundamental Processes in Aqueous Solution

    Renwu Zhou, Rusen Zhou, Jinxing Zhuang +5

    Maqola20167 iqtibos
    ABI

  17. A familial cluster of pneumonia associated with the 2019 novel coronavirus indicating person-to-person transmission: a study of a family cluster

    Jasper Fuk‐Woo Chan, Shuofeng Yuan, Kin‐Hang Kok +18

    Maqola20207 iqtibos
    ABI

  18. Hydroxyl Radical-Mediated Modification of Proteins as Probes for Structural Proteomics

    Guozhong Xu, Mark R. Chance

    Sharh maqola20076 iqtibos
    ABI

  19. CHARMM‐GUI: A web‐based graphical user interface for CHARMM

    Sunhwan Jo, Taehoon Kim, Vidyashankara Iyer +1

    Maqola20086 iqtibos
    ABI

  20. The effect of reactive oxygen and nitrogen species on the structure of cytoglobin: A potential tumor suppressor

    Joey De Backer, Jamoliddin Razzokov, Dietmar Hammerschmid +10

    Maqola20185 iqtibos
    ABI

  21. Transport of Reactive Oxygen and Nitrogen Species across Aquaporin: A Molecular Level Picture

    Maksudbek Yusupov, Jamoliddin Razzokov, Rodrigo M. Cordeiro +1

    Maqola20195 iqtibos
    ABI

  22. Effect of oxidative stress on cystine transportation by xC‾ antiporter

    Maryam Ghasemitarei, Maksudbek Yusupov, Jamoliddin Razzokov +2

    Maqola20195 iqtibos
    ABI

  23. Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation

    Daniel Wrapp, Nianshuang Wang, Kizzmekia S. Corbett +5

    Maqola20205 iqtibos
    ABI

  24. Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

    Pär Bjelkmar, Per Larsson, Michel A. Cuendet +2

    Maqola20104 iqtibos
    ABI

  25. CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields

    Kenno Vanommeslaeghe, Elizabeth Hatcher, Chitrangada Acharya +8

    Maqola20094 iqtibos
    ABI