Concepedia

Exploring the 7-oxo-thiazolo[5,4-d]pyrimidine core for the design of new human adenosine A3 receptor antagonists. Synthesis, molecular modeling studies and pharmacological evaluation

Flavia Varano, Daniela Catarzi, Lucia Squarcialupi, Marco Betti, Fabrizio Vincenzi, Annalisa Ravani, Katia Varani, Diego Dal Ben, Ajiroghene Thomas, Rosaria Volpini,

European Journal of Medicinal Chemistry · 2015 · 26 citations · 43 references

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43

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

Thomas A. Halgren · Journal of Computational Chemistry · 1996 · 5.2K citations

Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics

F. MOHAMADI, Nigel G. J. Richards, Wayne C. Guida et al. · Journal of Computational Chemistry · 1990 · 3.7K citations

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The 2.6 Angstrom Crystal Structure of a Human A <sub>2A</sub> Adenosine Receptor Bound to an Antagonist

Veli‐Pekka Jaakola, Mark T. Griffith, Michael A. Hanson et al. · Science · 2008 · 1.7K citations · Full text

MMFF VI. MMFF94s option for energy minimization studies

Thomas A. Halgren · Journal of Computational Chemistry · 1999 · 1.2K citations