Concepedia

Identification by Inverse Virtual Screening of magnolol-based scaffold as new tankyrase-2 inhibitors

Simone Di Micco, Luana Pulvirenti, Ines Bruno, Stefania Terracciano, Alessandra Russo, Maria Carmela Vaccaro, Dafne Ruggiero, Vera Muccilli, Nunzio Cardullo, Corrado Tringali,

Bioorganic & Medicinal Chemistry · 2018 · 30 citations · 31 references

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31

The Protein Data Bank

Helen M. Berman · Nucleic Acids Research · 2000 · 39.8K citations

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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

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Semianalytical treatment of solvation for molecular mechanics and dynamics

W. Clark Still, Anna Tempczyk, Ronald C. Hawley et al. · Journal of the American Chemical Society · 1990 · 3.7K citations

, , +16

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

Edward Harder, Wolfgang Damm, Jon R. Maple et al. · Journal of Chemical Theory and Computation · 2015 · 3.1K citations

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Python: a programming language for software integration and development.

M F Sanner · PubMed · 1999 · 3.1K citations

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