DOI: 10.1039/d6cp02077a ISSN: 1463-9076
Conformational landscapes of alkali metalated N -acetylhexosamines: insights from machine learning-assisted ab initio methods and validated by cryogenic inf
Kenee Kaiser Suyo Custodio, Temma Yazawa, Huu Trong Phan, Asato Okada, Tomonori Izu, Keisuke Hirata, Shun-ichi Ishiuchi, Jer-Lai KuoNNP-assisted first principles structural search revealed interesting insights in the conformational behavior of alkali metalated HexNAc.