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57 ta ish

Ish: Computational and in vitro evaluation of sumac-derived ©Rutan compounds towards Sars-CoV-2 Mpro inhibition

  1. The Nose–Hoover thermostat

    D.J. Evans, Brad Lee Holian

    Maqola198512 iqtibos
    ABI

  2. Repurposing of Rutan showed effective treatment for COVID-19 disease

    Shavkat Salikhov, Ibrokhim Y. Abdurakhmonov, Yuliya I. Oshchepkova +15

    MaqolaOchiq kirishDiverse Scientific Research StudiesFrontiers in Medicine20236 iqtibos
    ABI

  3. Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

    G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day +2

    Maqola20135 iqtibos
    ABI

  4. Extra Precision Glide:  Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

    Richard A. Friesner, Robert B. Murphy, Matthew P. Repasky +5

    Maqola20065 iqtibos
    ABI

  5. Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy

    Richard A. Friesner, Jay L. Banks, Robert B. Murphy +10

    Maqola20045 iqtibos
    ABI

  6. Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

    Zhenming Jin, Xiaoyu Du, Yechun Xu +28

    MaqolaOchiq kirish20205 iqtibos
    ABI

  7. A hierarchical approach to all‐atom protein loop prediction

    Matthew P. Jacobson, David L. Pincus, Chaya S. Rapp +4

    Maqola20045 iqtibos
    ABI

  8. Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening

    Thomas A. Halgren, Robert B. Murphy, Richard A. Friesner +4

    Maqola20044 iqtibos
    ABI

  9. Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution

    Jeremy R. Greenwood, David R. Calkins, Arron Sullivan +1

    Maqola20104 iqtibos
    ABI

  10. Boceprevir, GC-376, and calpain inhibitors II, XII inhibit SARS-CoV-2 viral replication by targeting the viral main protease

    Chunlong Ma, M. Sacco, Brett L. Hurst +8

    MaqolaOchiq kirish20204 iqtibos
    ABI

  11. Inhibition of the SARS-CoV-2 3CLpro main protease by plant polyphenols

    Miha Bahun, Marko Jukič, Domen Oblak +7

    Maqola20214 iqtibos
    ABI

  12. STRUCTURE OF POLYPHENOLS OF LEAVES TANNING SUMAC RHUS CORIARIA L.

    Zhamollitdin Fazlitdinovich Ziyavitdinov, Yuliya Igorevna Oshchepkova, N. G. Abdulladzhanova +1

    Maqola20203 iqtibos
    ABI

  13. An in-silico evaluation of different bioactive molecules of tea for their inhibition potency against non structural protein-15 of SARS-CoV-2

    Jatin Sharma, Vijay Kumar Bhardwaj, Rahul Singh +3

    Maqola20203 iqtibos
    ABI

  14. Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters

    K. J. Bowers, David E. Chow, Huafeng Xu +10

    Maqola20063 iqtibos
    ABI

  15. Identification of bioactive molecules from tea plant as SARS-CoV-2 main protease inhibitors

    Vijay Kumar Bhardwaj, Rahul Singh, Jatin Sharma +3

    MaqolaOchiq kirish20202 iqtibos
    ABI

  16. Epik: a software program for pK a prediction and protonation state generation for drug-like molecules

    John C. Shelley, Anuradha Cholleti, Leah L. Frye +3

    Maqola20072 iqtibos
    ABI

  17. Mechanistic Insights into SARS-CoV-2 Main Protease Inhibition Reveals Hotspot Residues

    Parthiban Marimuthu, Suresh Gorle, Karnati Konda Reddy

    MaqolaOchiq kirish20212 iqtibos
    ABI

  18. OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

    Edward Harder, Wolfgang Damm, Jon R. Maple +13

    Maqola20152 iqtibos
    ABI

  19. Sarlavhasiz

    Boshqa1 iqtibos
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  20. Sarlavhasiz

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  21. Sarlavhasiz

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  22. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  23. Sarlavhasiz

    Boshqa1 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa1 iqtibos
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  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI