In this lecture, I briefly introduce enhanced sampling methods describing major concepts and relevant equantions. Then, I focus on applications of enhanced sampling methods in drug design. Likely, such methods can allow for overcoming major limitations of currently available computational methods in drug design and discovery.
Cavalli A. (2009). Innovative computational approaches to the discovery of novel lead candidates. ZERMATT : s.n.
Innovative computational approaches to the discovery of novel lead candidates
CAVALLI, ANDREA
2009
Abstract
In this lecture, I briefly introduce enhanced sampling methods describing major concepts and relevant equantions. Then, I focus on applications of enhanced sampling methods in drug design. Likely, such methods can allow for overcoming major limitations of currently available computational methods in drug design and discovery.File in questo prodotto:
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