The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials

The multiscale coarse-graining method. V. Isothermal-isobaric ensemble

(2010) Avisek Das et al.   JOURNAL OF CHEMICAL PHYSICS

Coarse-Grained Potential Models for Phenyl-Based Molecules: I. Parametrization Using Experimental Data

(2010) Russell DeVane et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Zwitterionic Lipid Assemblies: Molecular Dynamics Studies of Monolayers, Bilayers, and Vesicles Using a New Coarse Grain Force Field

(2010) Wataru Shinoda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?

(2009) Han Wang et al.   EUROPEAN PHYSICAL JOURNAL E

Multiscale simulation of soft matter systems

(2009) Christine Peter et al.   FARADAY DISCUSSIONS

Simulations of theoretically informed coarse grain models of polymeric systems

(2009) François A. Detcheverry et al.   FARADAY DISCUSSIONS

Evaluating the transferability of coarse-grained, density-dependent implicit solvent models to mixtures and chains

(2009) Erik C. Allen et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures

(2009) Vinod Krishna et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. III. A test of pairwise additivity of the coarse-grained potential and of new basis functions for the variational calculation

(2009) Avisek Das et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretically informed coarse grain simulations of polymeric systems

(2009) Darin Q. Pike et al.   JOURNAL OF CHEMICAL PHYSICS

Mixed Resolution Modeling of Interactions in Condensed-Phase Systems

(2009) Sergei Izvekov et al.   Journal of Chemical Theory and Computation

Transferable Coarse Grain Nonbonded Interaction Model for Amino Acids

(2009) Russell DeVane et al.   Journal of Chemical Theory and Computation

Theoretically informed coarse grain simulations of block copolymer melts: method and applications

(2009) François A. Detcheverry et al.   Soft Matter

Multiscale simulation of soft matter systems – from the atomistic to the coarse-grained level and back

(2009) Christine Peter et al.   Soft Matter

A Systematic Methodology for Defining Coarse-Grained Sites in Large Biomolecules

(2008) Zhiyong Zhang et al.   BIOPHYSICAL JOURNAL

The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models

(2008) W. G. Noid et al.   JOURNAL OF CHEMICAL PHYSICS

Transferability of coarse-grained force fields: The polymer case

(2008) Paola Carbone et al.   JOURNAL OF CHEMICAL PHYSICS

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models

(2008) W. G. Noid et al.   JOURNAL OF CHEMICAL PHYSICS

The MARTINI Coarse-Grained Force Field: Extension to Proteins

(2008) Luca Monticelli et al.   Journal of Chemical Theory and Computation

Molecular based equation of state for shocked liquid nitromethane

(2008) Nicolas Desbiens et al.   JOURNAL OF HAZARDOUS MATERIALS

Microscopic Approaches to Liquid Nitromethane Detonation Properties

(2008) Anaïs Hervouët et al.   JOURNAL OF PHYSICAL CHEMISTRY B