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57 та иш

Иш: 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

    Мақола198511 иқтибос
    ABI

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

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

    МақолаDiverse Scientific Research StudiesFrontiers in Medicine20236 иқтибос
    ABI

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

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

    Мақола20135 иқтибос
    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

    Мақола20065 иқтибос
    ABI

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

    Zhenming Jin, Xiaoyu Du, Yechun Xu +28

    Мақола20205 иқтибос
    ABI

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

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

    Мақола20045 иқтибос
    ABI

  7. 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

    Мақола20044 иқтибос
    ABI

  8. 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

    Мақола20044 иқтибос
    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

    Мақола20104 иқтибос
    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

    Мақола20204 иқтибос
    ABI

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

    Miha Bahun, Marko Jukič, Domen Oblak +7

    Мақола20214 иқтибос
    ABI

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

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

    Мақола20203 иқтибос
    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

    Мақола20203 иқтибос
    ABI

  14. Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters

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

    Мақола20063 иқтибос
    ABI

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

    Vijay Kumar Bhardwaj, Rahul Singh, Jatin Sharma +3

    Мақола20202 иқтибос
    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

    Мақола20072 иқтибос
    ABI

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

    Parthiban Marimuthu, Suresh Gorle, Karnati Konda Reddy

    Мақола20212 иқтибос
    ABI

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

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

    Мақола20152 иқтибос
    ABI

  19. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  20. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  21. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  22. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  23. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  24. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI

  25. Сарлавҳасиз

    Бошқа1 иқтибос
    ABI