Macrocycle Conformational Sampling by DFT-D3/COSMO-RS Methodology

Ondrej Gutten, Daniel Bím, Jan Rezác, Lubomír Rulísek. Macrocycle Conformational Sampling by DFT-D3/COSMO-RS Methodology. Journal of Chemical Information and Computer Sciences, 58(1):48-60, 2018. [doi]

Abstract

Abstract is missing.