HBP Builder: A Tool to Generate Hyperbranched Polymers and Hyperbranched Multi-Arm Copolymers for Coarse-grained and Fully Atomistic Molecular Simulations

Hyperbranched polymer vesicles: from self-assembly, characterization, mechanisms, and properties to applications

(2015) Wenfeng Jiang et al.   CHEMICAL SOCIETY REVIEWS

Martini Coarse-Grained Force Field: Extension to DNA

(2015) Jaakko J. Uusitalo et al.   Journal of Chemical Theory and Computation

Conformational Dynamics of Two Natively Unfolded Fragment Peptides: Comparison of the AMBER and CHARMM Force Fields

(2015) Wei Chen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Multiscale Molecular Dynamics Simulations of Model Hydrophobically Modified Ethylene Oxide Urethane Micelles

(2015) Fang Yuan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Multi-Scale Simulation of Hyperbranched Polymers

(2015) Ricardo Schmidt et al.   Polymers

Dissipative Particle Dynamics Simulation Study on Vesicles Self-Assembled from Amphiphilic Hyperbranched Multiarm Copolymers

(2014) Yuling Wang et al.   Chemistry-An Asian Journal

Direct Mixing of Atomistic Solutes and Coarse-Grained Water

(2014) Mario Orsi et al.   Journal of Chemical Theory and Computation

Structure, Dynamics, and Spectral Diffusion of Water from First-Principles Molecular Dynamics

(2014) Arindam Bankura et al.   Journal of Physical Chemistry C

Martini Force Field Parameters for Glycolipids

(2013) César A. López et al.   Journal of Chemical Theory and Computation

Mixing MARTINI: Electrostatic Coupling in Hybrid Atomistic–Coarse-Grained Biomolecular Simulations

(2013) Tsjerk A. Wassenaar et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Refined OPLS All-Atom Force Field Parameters for n-Pentadecane, Methyl Acetate, and Dimethyl Phosphate

(2013) Krzysztof Murzyn et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Supramolecular Janus Hyperbranched Polymer and Its Photoresponsive Self-Assembly of Vesicles with Narrow Size Distribution

(2013) Yong Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enhancing composition window of bicontinuous structures by designed polydispersity distribution of ABA triblock copolymers

(2013) Yue Li et al.   POLYMER

Dissipative particle dynamics simulation study on the mechanisms of self-assembly of large multimolecular micelles from amphiphilic dendritic multiarm copolymers

(2013) Yuling Wang et al.   Soft Matter

Biocompatible or biodegradable hyperbranched polymers: from self-assembly to cytomimetic applications

(2012) Haibao Jin et al.   CHEMICAL SOCIETY REVIEWS

GROMOS 53A6GLYC, an Improved GROMOS Force Field for Hexopyranose-Based Carbohydrates

(2012) Laercio Pol-Fachin et al.   Journal of Chemical Theory and Computation

Structure Formation of Toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GROMACS

(2012) Sebastian Fritsch et al.   Journal of Chemical Theory and Computation

Optimization of the OPLS-AA Force Field for Long Hydrocarbons

(2012) Shirley W. I. Siu et al.   Journal of Chemical Theory and Computation

Treatment of Halogen Bonding in the OPLS-AA Force Field: Application to Potent Anti-HIV Agents

(2012) William L. Jorgensen et al.   Journal of Chemical Theory and Computation

Dendrimer building toolkit: Model building and characterization of various dendrimer architectures

(2012) Vishal Maingi et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Van der Waals effects inab initiowater at ambient and supercritical conditions

(2011) Romain Jonchiere et al.   JOURNAL OF CHEMICAL PHYSICS

Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics

(2011) Benjamin G. Levine et al.   Journal of Chemical Theory and Computation

A Linear-Hyperbranched Supramolecular Amphiphile and Its Self-Assembly into Vesicles with Great Ductility

(2011) Wei Tao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Self-Assembly of Hyperbranched Polymers and Its Biomedical Applications

(2010) Yongfeng Zhou et al.   ADVANCED MATERIALS

Hyperbranched and Highly Branched Polymer Architectures—Synthetic Strategies and Major Characterization Aspects

(2009) Brigitte I. Voit et al.   CHEMICAL REVIEWS

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Multiscale Scheme for the Simulation of Conformational and Solution Properties of Different Dendrimer Molecules

(2009) Gustavo Del Río Echenique et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Shear-induced effects in hyperbranched-linear polyelectrolyte complexes

(2008) G. K. Dalakoglou et al.   JOURNAL OF CHEMICAL PHYSICS

Facile Fabrication of pH-Responsive and Size-Controllable Polymer Vesicles From a Commercially Available Hyperbranched Polyester

(2008) Zengqian Shi et al.   MACROMOLECULAR RAPID COMMUNICATIONS

Theory of Polydisperse Block Copolymer Melts: Beyond the Schulz−Zimm Distribution

(2008) Nathaniel A. Lynd et al.   MACROMOLECULES