Asosiy kontentga oʻtish
AkademIndex

Xizmatlar

← Ishga qaytish

Ushbu ish iqtibos qilgan ishlar

113 ta ish

Ish: Evaluation of Chalcone ( <i>E</i> )-3-(4-Fluorophenyl)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-prop-2-en-1-one against <i>Trypanosoma cruzi</i> (Y Strain): In Vitro Assay, In Silico Drug-Target Analysis, and MPO-Based Drug Likeness

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Maqola2011135 iqtibos
    ABI

  2. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    MaqolaOchiq kirish1988107 iqtibos
    ABI

  3. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

    Marcus D. Hanwell, Donald Curtis, David Lonie +3

    MaqolaOchiq kirish201237 iqtibos
    ABI

  4. Rapid colorimetric assay for cellular growth and survival: Application to proliferation and cytotoxicity assays

    Tim R. Mosmann

    Maqola198329 iqtibos
    ABI

  5. Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

    Timo Koopmans

    Maqola193418 iqtibos
    ABI

  6. The ORCA program system

    Frank Neese

    Maqola201115 iqtibos
    ABI

  7. Canonical dynamics: Equilibrium phase-space distributions

    William G. Hoover

    Maqola198514 iqtibos
    ABI

  8. <i>VESTA</i>: a three-dimensional visualization system for electronic and structural analysis

    Koichi Momma, Fujio Izumi

    Maqola200812 iqtibos
    ABI

  9. Electrophilicity Index

    Robert G. Parr, László von Szentpály, Shubin Liu

    Maqola199912 iqtibos
    ABI

  10. Bonded-atom fragments for describing molecular charge densities

    F. L. Hirshfeld

    Maqola197712 iqtibos
    ABI

  11. Density-functional thermochemistry. I. The effect of the exchange-only gradient correction

    Axel D. Becke

    Maqola199211 iqtibos
    ABI

  12. Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview

    I.B. Obot, Digby D. Macdonald, Zuhair M. Gasem

    Maqola20159 iqtibos
    ABI

  13. CHARMM36m: an improved force field for folded and intrinsically disordered proteins

    Jing Huang, Sarah Rauscher, Grzegorz Nawrocki +5

    MaqolaOchiq kirish20169 iqtibos
    ABI

  14. Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K

    Pekka Mark, Lennart Nilsson

    Maqola20019 iqtibos
    ABI

  15. <b>Hard and Soft Acids and Bases</b>

    Ralph G. Pearson

    Maqola19638 iqtibos
    ABI

  16. Role of Frontier Orbitals in Chemical Reactions

    Kenichi Fukui

    Maqola19827 iqtibos
    ABI

  17. Lead- and drug-like compounds: the rule-of-five revolution

    Christopher A. Lipinski

    Maqola20046 iqtibos
    ABI

  18. Molecular Properties That Influence the Oral Bioavailability of Drug Candidates

    Daniel F. Veber, Stephen R. Johnson, Hung‐Yuan Cheng +3

    Maqola20025 iqtibos
    ABI

  19. 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

    MaqolaOchiq kirish20095 iqtibos
    ABI

  20. Gabedit—A graphical user interface for computational chemistry softwares

    A. Allouche

    MaqolaOchiq kirish20104 iqtibos
    ABI

  21. Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

    R. Ditchfield, Warren J. Hehre, John A. Pople

    Maqola19714 iqtibos
    ABI

  22. Hardness, softness, and the fukui function in the electronic theory of metals and catalysis.

    W Yang, Robert G. Parr

    Maqola19853 iqtibos
    ABI

  23. The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

    Samuel Genheden, Ulf Ryde

    Sharh maqola20153 iqtibos
    ABI

  24. A simple model predicts UGT-mediated metabolism

    Na Le Dang, Tyler B. Hughes, Varun K. Krishnamurthy +1

    Maqola20163 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa3 iqtibos
    ABI