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Иш: Atranorin is a novel potential candidate drug for treating myelodysplastic syndrome

  1. Comparison of simple potential functions for simulating liquid water

    William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura +2

    Мақола198312 иқтибос
    ABI

  2. Antioxidant activity applying an improved ABTS radical cation decolorization assay

    Roberta Re, Nicoletta Pellegrini, Anna R. Proteggente +3

    Мақола199912 иқтибос
    ABI

  3. A unified formulation of the constant temperature molecular dynamics methods

    Shūichi Nosé

    Мақола19846 иқтибос
    ABI

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

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

    Мақола20135 иқтибос
    ABI

  5. 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

  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. 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

  9. OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space

    Chao Lü, Chuanjie Wu, Delaram Ghoreishi +10

    Мақола20214 иқтибос
    ABI

  10. Multiple Sequence Alignment Using ClustalW and ClustalX

    Julie Thompson, Toby J. Gibson, Desmond G. Higgins

    Мақола20024 иқтибос
    ABI

  11. Biocompatibility, antioxidant activity and collagen photoprotection properties of C60 fullerene adduct with L-methionine

    Vladimir V. Sharoyko, Olga S. Shemchuk, Anatolii A. Meshcheriakov +8

    Мақола20214 иқтибос
    ABI

  12. Molecular Dynamics Simulation for All

    Scott A. Hollingsworth, Ron O. Dror

    Шарҳ мақола20183 иқтибос
    ABI

  13. Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters

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

    Мақола20063 иқтибос
    ABI

  14. Graphene oxide enriched with oxygen-containing groups: on the way to an increase of antioxidant activity and biocompatibility

    Abdelsattar O.E. Abdelhalim, Anatolii A. Meshcheriakov, Д. Н. Майстренко +8

    Мақола20213 иқтибос
    ABI

  15. Differential Binding Models for Isothermal Titration Calorimetry: Moving beyond the Wiseman Isotherm

    Isaac Herrera, Mitchell A. Winnik

    Мақола20133 иқтибос
    ABI

  16. Isothermal Calorimetric Titration of Human Serum Albumin with the Fullerene C60-L-Arginine Adduct

    Е. И. Почкаева, Yu. A. Anufrikov, V. P. Faenkova +3

    Мақола20193 иқтибос
    ABI

  17. Physicochemical properties, biological activity and biocompatibility of water-soluble C60-Hyp adduct

    Anatolii A. Meshcheriakov, Gleb O. Iurev, Mikhail D. Luttsev +8

    Мақола20203 иқтибос
    ABI

  18. Heterogeneity in Radiation-Induced DNA Damage and Repair in Tumor and Normal Cells Measured Using the "Comet" Assay

    Peggy L. Olive, Judit P. Banáth, Ralph E. Durand

    Мақола19902 иқтибос
    ABI

  19. THE IMPORTANCE OF A PHOTOSENSITIZER BLEACHING REGISTRATION FOR THE EVALUATION OF MECHANISM OF PREPARATION ACTION ON THE PHOTO-INDUCED HEMOLYSIS

    L. V. Galebskaya, Irina L. Solovtsova, E. B. Miroshnikova +5

    Мақола20172 иқтибос
    ABI

  20. Novel non-covalent conjugate based on graphene oxide and alkylating agent from 1,3,5-triazine class

    Vladimir V. Sharoyko, Olga V. Mikolaichuk, Olga S. Shemchuk +11

    Мақола20232 иқтибос
    ABI

  21. Variable responses of different human cancer cells to the lichen compounds parietin, atranorin, usnic acid and gyrophoric acid

    Miriam Bačkorová, Martin Bačkor, Jaromír Mikeš +2

    Мақола20102 иқтибос
    ABI

  22. Accurate Prediction of the Relative Potencies of Members of a Series of Kinase Inhibitors Using Molecular Docking and MM-GBSA Scoring

    Paul D. Lyne, Michelle L. Lamb, Jamal Saeh

    Мақола20062 иқтибос
    ABI

  23. MM/GBSA Binding Energy Prediction on the PDBbind Data Set: Successes, Failures, and Directions for Further Improvement

    Paulette A. Greenidge, Christian Krämer, Jean‐Christophe Mozziconacci +1

    Мақола20122 иқтибос
    ABI

  24. Cladonia lichens and their major metabolites as possible natural antioxidant, antimicrobial and anticancer agents

    Marijana Kosanić, Branislav Ranković, Tatjana Stanojković +2

    Мақола20142 иқтибос
    ABI

  25. On the Role of the Crystal Environment in Determining Protein Side-chain Conformations

    Matthew P. Jacobson, Richard A. Friesner, Zhexin Xiang +1

    Мақола20022 иқтибос
    ABI