Fast calculation of van der Waals volume as a sum of atomic and bond contributions and its application to drug compounds.

By Yuan H. Zhao, Michael H. Abraham, A. Zissimos. Journal of Organic Chemistry, 2003

594 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Organic Chemistry

View Paper: https://www.semanticscholar.org/paper/165f3c6f1604758af11fd2299d82b32a8ff883c8

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In Computational Theory and Mathematics

1. Marc A. Giulianotti
2. Richard A. Houghten

Citations in the corpus

• Discovery of Novel Inhibitors of a Disintegrin and Metalloprotease 17 (ADAM17) Using Glycosylated and Non-glycosylated Substrates* (2012, background): “7 Å due to the presence of a single carbohydrate moiety (56, 57).”