학술논문
Decisive role of water and protein dynamics in residence time of p38α MAP kinase inhibitors
Document Type
article
Author
Source
Nature Communications, Vol 13, Iss 1, Pp 1-14 (2022)
Subject
Language
English
ISSN
2041-1723
Abstract
The molecular determinants of the residence time of a small molecule inhibitor at its target protein are not well understood. Here, Pantsar et al. show that the target protein’s conformational stability and solvent exposure are key factors governing the target residence time of kinase inhibitors.