Works cited by this work

57 works

Work: 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

   Article198511 citations

   ABIABI:AkademIndex/openalex/2026.other.213362

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

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

   ArticleDiverse Scientific Research StudiesFrontiers in Medicine20236 citations

   ABIABI:AkademIndex/openalex/2023.article.000825

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

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

   Article20135 citations

   ABIABI:AkademIndex/openalex/2026.other.072761

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

   Article20065 citations

   ABIABI:AkademIndex/openalex/2026.other.072773

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

   Zhenming Jin, Xiaoyu Du, Yechun Xu +28

   Article20205 citations

   ABIABI:AkademIndex/openalex/2026.other.175269

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

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

   Article20045 citations

   ABIABI:AkademIndex/openalex/2026.other.240692

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

   Article20044 citations

   ABIABI:AkademIndex/openalex/2026.other.066699

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

   Article20044 citations

   ABIABI:AkademIndex/openalex/2026.other.072962

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

   Article20104 citations

   ABIABI:AkademIndex/openalex/2026.other.240682

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

    Article20204 citations

    ABIABI:AkademIndex/openalex/2026.other.240709

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

    Miha Bahun, Marko Jukič, Domen Oblak +7

    Article20214 citations

    ABIABI:AkademIndex/openalex/2026.other.258252

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

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

    Article20203 citations

    ABIABI:AkademIndex/openalex/2026.other.258231

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

    Article20203 citations

    ABIABI:AkademIndex/openalex/2026.other.307497

14. Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters

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

    Article20063 citations

    ABIABI:AkademIndex/openalex/2026.other.307504

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

    Vijay Kumar Bhardwaj, Rahul Singh, Jatin Sharma +3

    Article20202 citations

    ABIABI:AkademIndex/openalex/2026.other.202749

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

    Article20072 citations

    ABIABI:AkademIndex/openalex/2026.other.240684

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

    Parthiban Marimuthu, Suresh Gorle, Karnati Konda Reddy

    Article20212 citations

    ABIABI:AkademIndex/openalex/2026.other.240722

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

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

    Article20152 citations

    ABIABI:AkademIndex/openalex/2026.other.307491

19. Untitled

    Other1 citations

    ABIABI:AkademIndex/openalex/2026.other.307484

20. Untitled

    Other1 citations

    ABIABI:AkademIndex/openalex/2026.other.307485

21. Untitled

    Other1 citations

    ABIABI:AkademIndex/openalex/2026.other.307486

22. Untitled

    Other1 citations

    ABIABI:AkademIndex/openalex/2026.other.307487

23. Untitled

    Other1 citations

    ABIABI:AkademIndex/openalex/2026.other.307488

24. Untitled

    Other1 citations

    ABIABI:AkademIndex/openalex/2026.other.307489

25. Untitled

    Other1 citations

    ABIABI:AkademIndex/openalex/2026.other.307490