Related references
Note: Only part of the references are listed.Well-tempered metadynamics: A smoothly converging and tunable free-energy method
Alessandro Barducci et al.
PHYSICAL REVIEW LETTERS (2008)
Projection of diffusions on submanifolds: Application to mean force computation
Giovanni Ciccotti et al.
COMMUNICATIONS ON PURE AND APPLIED MATHEMATICS (2008)
On the importance of a funneled energy landscape for the assembly and regulation of multidomain Src tyrosine kinases
Jose D. Faraldo-Gomez et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Stable computation of probability densities for metastable dynamical systems
Marcus Weber et al.
MULTISCALE MODELING & SIMULATION (2007)
A temperature accelerated method for sampling free energy and determining reaction pathways in rare events simulations
Luca Maragliano et al.
CHEMICAL PHYSICS LETTERS (2006)
Metadynamics as a tool for exploring free energy landscapes of chemical reactions
B Ensing et al.
ACCOUNTS OF CHEMICAL RESEARCH (2006)
Blue moon sampling, vectorial reaction coordinates, and unbiased constrained dynamics
G Ciccotti et al.
CHEMPHYSCHEM (2005)
Mapping the backbone dihedral free-energy surfaces in small peptides in solution using adiabatic free-energy dynamics
L Rosso et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
Efficient exploration of reactive potential energy surfaces using Car-Parrinello molecular dynamics
M Iannuzzi et al.
PHYSICAL REVIEW LETTERS (2003)
Escaping free-energy minima
A Laio et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)
Free energy simulations come of age: Protein-ligand recognition
T Simonson et al.
ACCOUNTS OF CHEMICAL RESEARCH (2002)
On the use of the adiabatic molecular dynamics technique in the calculation of free energy profiles
L Rosso et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Canonical adiabatic free energy sampling (CAFES): A novel method for the exploration of free energy surfaces
J VandeVondele et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)