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.

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.
2009
24 Seminaire en Sciences Pharmaceutiques
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Cavalli A.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11585/79189
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