Protein ensembles: how does nature harness thermodynamic fluctuations for life? The diverse functional roles of conformational ensembles in the cell

G Wei, W ** experiments
P Rissone, CV Bizarro, F Ritort - Proceedings of the National Academy of …, 2022 - pnas.org
Accurate knowledge of RNA hybridization is essential for understanding RNA structure and
function. Here we mechanically unzip and rezip a 2-kbp RNA hairpin and derive the 10 …

Free energy landscape for the binding process of Huperzine A to acetylcholinesterase

F Bai, Y Xu, J Chen, Q Liu, J Gu, X Wang, J Ma… - Proceedings of the …, 2013 - pnas.org
Drug-target residence time (t= 1/k off, where k off is the dissociation rate constant) has
become an important index in discovering better-or best-in-class drugs. However, little effort …

Targeting Ras-binding domain of ELMO1 by computational nanobody design

C Tam, M Kukimoto-Niino, Y Miyata-Yabuki… - Communications …, 2023 - nature.com
The control of cell movement through manipulation of cytoskeletal structure has therapeutic
prospects notably in the development of novel anti-metastatic drugs. In this study, we …