Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization

Kamenik, AS; Lessel, U; Fuchs, JE; Fox, T; Liedl, KR

Liedl, KR (reprint author), Univ Innsbruck, Ctr Mol Biosci Innsbruck, Inst Gen Inorgan & Theoret Chem, A-6020 Innsbruck, Austria.; Fox, T (reprint author), Boehringer Ingelheim Pharma GmbH & Co KG, Med Chem, D-88397 Biberach, Germany.

JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2018; 58 (5): 982

Abstract

Macrocycles are of considerable interest as highly specific drug candidates, yet they challenge standard conformer generators with their large number ......

Full Text Link