Spectral analysis of molecular dynamics simulations on PDZ: MD sectors

Modeling Nanocomposites for Molecular Dynamics (md) Simulations

Recent Advances in Fragment Molecular Orbital-Based Molecular Dynamics (FMO-MD) Simulations

Molecular Dynamics Simulations on Polymeric Nanocomposite Membranes Designed to Deliver Pipobromane Anticancer Drug

Three chitosan (CS), polyethylene glycol (PEG) and polylactic acid (PLA) nanocomposite systems containing SiO2 nanoparticles and water molecules were designed by molecular dynamics (MD) simulations to deliver pipobromane (PIP) anticancer drug in order to discover the most appropriate drug delivery system (DDS) in aqueous medium which was analogous to the human body. The density for the CS matri...

Development of MD Engine: High-speed accelerator with parallel processor design for molecular dynamics simulations

SHINJIRO TOYODA, HIROH MIYAGAWA, KUNIHIRO KITAMURA, TAKASHI AMISAKI, EIRI HASHIMOTO, HITOSHI IKEDA, AKIHIRO KUSUMI, NOBUAKI MIYAKAWA Component Development Department, Suzuka Fuji Xerox Co., Ltd., 2274 Hongo, Ebina, Kanagawa 243-04, Japan Research Center, Taisho Pharmaceutical Co., Ltd., 1-403 Yoshino, Ohmiya, Saitama 330, Japan Department of Mathematics and Computer Science, Shimane University,...

Effects of Dimethyl Sulfoxide and Mutations on the Folding of Abeta(25-35) Peptide: Molecular Dynamics Simulations

The 25-35 fragment of the amyloid β (Aβ) peptide is a naturally occurring proteolytic by-product of its larger parent molecule that retains the amyloid characteristics and toxicity of the full length parent molecule. Aggregation of this peptide occurs rapidly in aqueous solutions and thus characterization of its folding process is very difficult. In the present study, early stages of Aβ(25–35) ...