k-Nearest Neighbor Adaptive Sampling, a Simple Tool to Efficiently Explore Conformational Space.

Site
Pubmed id
40839780
Authors

Rovers E, Thudi A, Hénin J, Maddison CJ, Schapira M

DOI
10.1021/acs.jctc.5c00462
Journal
J Chem Theory Comput
Publication Date
2025-8-21
Year
2025
N Publication Date
PI authors
Validated
Y