TY  - JOUR
AU  - Leone, Vanessa
AU  - Marinelli, Fabrizio
AU  - Carloni, Paolo
AU  - Parrinello, Michele
TI  - Targeting biomolecular flexibility with metadynamics
JO  - Current opinion in structural biology
VL  - 20
IS  - 2
SN  - 0959-440X
CY  - Amsterdam [u.a.]
PB  - Elsevier
M1  - FZJ-2015-03585
SP  - 148 - 154
PY  - 2010
AB  - Metadynamics calculations allow investigating structure, plasticity, and energetics in a variety of biological processes spanning from molecular docking to protein folding. Recent theoretical developments have led to applications to increasingly complex systems and processes stepping up the biological relevance of the problem solved. Here, after summarizing recent technical advances and applications, we give a perspective of the method as a tool for enzymology and for the prediction of NMR and other spectroscopic data.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000277751700003
C6  - pmid:20171876
DO  - DOI:10.1016/j.sbi.2010.01.011
UR  - https://juser.fz-juelich.de/record/201280
ER  -