Addressing Challenges of Macrocyclic Conformational Sampling in Polar and Apolar Solvents: Lessons for Chameleonicity.
Xuechen TangJanik KokotFranz WaiblMonica L. Fernández-QuinteroAnna S. KamenikKlaus R. LiedlPublished in: J. Chem. Inf. Model. (2023)