1.9k citations · 1.9k across the 2 of their papers we have counts for
2 papers
q-bio.BM2009
Atomic-detailed milestones along the folding trajectory of protein G
C. Camilloni, G. Tiana, R. A. Broglia
The high computational cost of carrying out molecular dynamics simulations of even small-size proteins is a major obstacle in the study, at atomic detail and in explicit solvent, o…
physics.comp-ph2009★ 1.9k cited
PLUMED: a portable plugin for free-energy calculations with molecular dynamics
M. Bonomi, D. Branduardi, G. Bussi +8
Here we present a program aimed at free-energy calculations in molecular systems. It consists of a series of routines that can be interfaced with the most popular classical molecul…