MacroModel

Versatile, full-featured program for molecular modeling

Below are selected publications from 2005; please check here to cite the use of MacroModel

  •   Guida, W.C.; Hamilton, A.D.; Crotty, J.W.; Sebti, S.M., "Protein farnesyltransferase: Flexible docking studies on inhibitors using computational modeling," J. Comput. Aided Mol. Des., 2005, 19, 871-85
  •   Cochran, S.; Li, C.P.; Bytheway, I., "An Experimental and Molecular-Modeling Study of the Binding of Linked Sulfated Tetracyclitols to FGF-1 and FGF-2," ChemBioChem, 2005, 6, 1882-1890
  •   Tafi, A.; Agamennone, M.; Tortorella, P.; Alcaro, S.; Gallina, C.; Botta, M., "AMBER force field implementation of the boronate function to simulate the inhibition of beta-lactamases by alkyl and aryl boronic acids," Eur. J. Med. Chem., 2005, 40, 1134-1142
  •   Ercanli, T.; Boyd, D.B., "Evaluation of computational chemistry methods: crystallographic and cheminformatics analysis of aminothiazole methoximes," J. Chem. Inf. Model., 2005, 45, 591-601
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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