1

Using metadynamics to explore complex free-energy landscapes

Year:
2020
Language:
english
File:
PDF, 3.69 MB
english, 2020
3

Equilibrium Free Energies from Nonequilibrium Metadynamics

Year:
2006
Language:
english
File:
PDF, 118 KB
english, 2006
7

Canonical sampling through velocity rescaling

Year:
2007
Language:
english
File:
PDF, 455 KB
english, 2007
10

Colored-Noise Thermostats à la Carte

Year:
2010
Language:
english
File:
PDF, 1.24 MB
english, 2010
11

Accurate sampling using Langevin dynamics

Year:
2007
Language:
english
File:
PDF, 300 KB
english, 2007
12

Hamiltonian replica exchange in GROMACS: a flexible implementation

Year:
2014
Language:
english
File:
PDF, 1.40 MB
english, 2014
19

schemes

Year:
2012
Language:
english
File:
PDF, 1.08 MB
english, 2012
23

Unraveling Mg 2+ –RNA binding with atomistic molecular dynamics

Year:
2017
Language:
english
File:
PDF, 2.06 MB
english, 2017
31

RNA Unwinding from Reweighted Pulling Simulations

Year:
2012
Language:
english
File:
PDF, 3.18 MB
english, 2012
37

Assessing the accuracy of direct-coupling analysis for RNA contact prediction

Year:
2020
Language:
english
File:
PDF, 4.93 MB
english, 2020
39

Metadynamics with Adaptive Gaussians

Year:
2012
Language:
english
File:
PDF, 2.31 MB
english, 2012
50

RNA folding pathways in stop motion

Year:
2016
Language:
english
File:
PDF, 1.61 MB
english, 2016