NMR and molecular modeling study of the conformations of taxol and of its side chain methylester in aqueous and non-aqueous solution.

Plant antitumor agents. VI. Isolation and structure of taxol, a novel antileukemic and antitumor agent from Taxus brevifolia

M. C. Wani, Harold L. Taylor, Monroe E. Wall et al. · Journal of the American Chemical Society · 1971 · 4.1K citations

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

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Natural Sciences, Chemistry, Biomolecular Modeling +13

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

Natural Sciences, Chemistry, Computational Chemistry +16

Promotion of microtubule assembly in vitro by taxol

Peter B. Schiff, Jane Fant, Susan Band Horwitz · Nature · 1979 · 3.6K citations

Life Sciences, Biochemistry, Cell Biology +9

Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms

Norman L. Allinger · Journal of the American Chemical Society · 1977 · 3.6K citations

Natural Sciences, Chemistry, Analytical Chemistry +6