Systematic implicit solvent coarse graining of dimyristoylphosphatidylcholine lipids

MagiC: Software Package for Multiscale Modeling

(2013) Alexander Mirzoev et al.   Journal of Chemical Theory and Computation

Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids

(2012) Joakim P. M. Jämbeck et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Systematic coarse-graining methods for soft matter simulations – a review

(2012) Emiliano Brini et al.   Soft Matter

Towards an understanding of many-particle effects in hydrophobic association in methane solutions

(2011) Sergei Izvekov   JOURNAL OF CHEMICAL PHYSICS

Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions

(2011) Jia-Wei Shen et al.   Journal of Chemical Theory and Computation

A Challenge for Peptide Coarse Graining: Transferability of Fragment-Based Models

(2011) Ozge Engin et al.   MACROMOLECULAR THEORY AND SIMULATIONS

Computer simulations of fusion, fission and shape deformation in lipid membranes

(2011) Kai Yang et al.   Soft Matter

An implicit solvent coarse-grained lipid model with correct stress profile

(2010) Alex J. Sodt et al.   JOURNAL OF CHEMICAL PHYSICS

Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water

(2010) Alessandra Villa et al.   Journal of Chemical Theory and Computation

A Systematically Coarse-Grained Solvent-Free Model for Quantitative Phospholipid Bilayer Simulations

(2010) Zun-Jing Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Recent development in computer simulations of lipid bilayers

(2010) Alexander P. Lyubartsev et al.   Soft Matter

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

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

Systematic coarse-graining of molecular models by the Newton inversion method

(2009) Alexander Lyubartsev et al.   FARADAY DISCUSSIONS

Systematic coarse graining from structure using internal states: Application to phospholipid/cholesterol bilayer

(2009) Teemu Murtola et al.   JOURNAL OF CHEMICAL PHYSICS

Extended ensemble approach for deriving transferable coarse-grained potentials

(2009) J. W. Mullinax et al.   JOURNAL OF CHEMICAL PHYSICS

Solvent-Free Lipid Bilayer Model Using Multiscale Coarse-Graining

(2009) Sergei Izvekov et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Systematic Coarse-graining of a Multicomponent Lipid Bilayer

(2009) Lanyuan Lu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Lipids on the move: Simulations of membrane pores, domains, stalks and curves

(2008) Siewert J. Marrink et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Membrane proteins: molecular dynamics simulations

(2008) E LINDAHL et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

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

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Modification of the CHARMM force field for DMPC lipid bilayer

(2008) Carl-Johan Högberg et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY