(Q53102812)

11 May 2018

title

Heating and flooding: a unified approach for rapid generation of free energy surfaces. (English)

1 reference

11 May 2018

author name string

Ming Chen

series ordinal

1

1 reference

11 May 2018

Michel A Cuendet

series ordinal

2

1 reference

11 May 2018

Mark E Tuckerman

series ordinal

3

1 reference

11 May 2018

language of work or name

English

0 references

publication date

1 July 2012

1 reference

11 May 2018

Journal of Chemical Physics

published in

1 reference

11 May 2018

volume

137

1 reference

11 May 2018

issue

2

1 reference

11 May 2018

page(s)

024102

1 reference

11 May 2018

Escaping free-energy minima

cites work

1 reference

Overcoming free energy barriers using unconstrained molecular dynamics simulations

21 January 2018

1 reference

Adaptive biasing force method for scalar and vector free energy calculations

21 January 2018

1 reference

Free energy calculations: an efficient adaptive biasing potential method.

21 January 2018

1 reference

Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables.

21 January 2018

1 reference

Metadynamics as a tool for exploring free energy landscapes of chemical reactions

21 January 2018

1 reference

Free energy of nascent-chain folding in the translocon

21 January 2018

1 reference

Local elevation: a method for improving the searching properties of molecular dynamics simulation.

21 January 2018

1 reference

Predicting slow structural transitions in macromolecular systems: Conformational flooding

21 January 2018

1 reference

Bridging the gap between thermodynamic integration and umbrella sampling provides a novel analysis method: "Umbrella integration".

21 January 2018

1 reference

Single-sweep methods for free energy calculations

21 January 2018

1 reference

Adaptively biased molecular dynamics for free energy calculations

21 January 2018

1 reference

All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

1 reference

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

21 January 2018

1 reference

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

21 January 2018

1 reference

Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models.

21 January 2018

1 reference

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

21 January 2018

1 reference

Solvent viscosity dependence of the folding rate of a small protein: distributed computing study

21 January 2018

1 reference

Enhanced conformational sampling of peptides via reduced side-chain and solvent masses

21 January 2018

1 reference

Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reduction

21 January 2018

1 reference

Application of nonlinear dimensionality reduction to characterize the conformational landscape of small peptides

21 January 2018

1 reference

From the Cover: Simplifying the representation of complex free-energy landscapes using sketch-map

21 January 2018

1 reference

Replica-exchange molecular dynamics method for protein folding

21 January 2018

1 reference

A bias-exchange approach to protein folding

21 January 2018

1 reference

A self-learning algorithm for biased molecular dynamics

21 January 2018

1 reference

Large-scale conformational sampling of proteins using temperature-accelerated molecular dynamics

21 January 2018

1 reference

Reversible multiple time scale molecular dynamics

21 January 2018

1 reference

Equilibrium Free Energies from Nonequilibrium Metadynamics

21 January 2018

1 reference

Comparing the Efficiency of Biased and Unbiased Molecular Dynamics in Reconstructing the Free Energy Landscape of Met-Enkephalin

21 January 2018

1 reference

Assessing the Accuracy of Metadynamics†

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.4733389

1 reference

11 May 2018

1 reference

11 May 2018