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Ish: 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

    Maqola198312 iqtibos
    ABI

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

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

    Maqola199912 iqtibos
    ABI

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

    Shūichi Nosé

    Maqola19846 iqtibos
    ABI

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

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

    Maqola20135 iqtibos
    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

    Maqola20065 iqtibos
    ABI

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

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

    Maqola20045 iqtibos
    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

    Maqola20044 iqtibos
    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

    Maqola20104 iqtibos
    ABI

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

    Chao Lü, Chuanjie Wu, Delaram Ghoreishi +10

    Maqola20214 iqtibos
    ABI

  10. Multiple Sequence Alignment Using ClustalW and ClustalX

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

    Maqola20024 iqtibos
    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

    Maqola20214 iqtibos
    ABI

  12. Molecular Dynamics Simulation for All

    Scott A. Hollingsworth, Ron O. Dror

    Sharh maqola20183 iqtibos
    ABI

  13. Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters

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

    Maqola20063 iqtibos
    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

    Maqola20213 iqtibos
    ABI

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

    Isaac Herrera, Mitchell A. Winnik

    Maqola20133 iqtibos
    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

    Maqola20193 iqtibos
    ABI

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

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

    Maqola20203 iqtibos
    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

    Maqola19902 iqtibos
    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

    Maqola20172 iqtibos
    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

    Maqola20232 iqtibos
    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

    Maqola20102 iqtibos
    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

    Maqola20062 iqtibos
    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

    Maqola20122 iqtibos
    ABI

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

    Marijana Kosanić, Branislav Ranković, Tatjana Stanojković +2

    Maqola20142 iqtibos
    ABI

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

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

    Maqola20022 iqtibos
    ABI