Molecular Simulation, Volume 42, Issue 2 (2016)

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Molecular Simulation, Volume 42, Issue 2 (2016)

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Article
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
David Dubbeldam, Sofía Calero, Donald E. Ellis & Randall Q. Snurr
Pages: 81-101
Published online: 26 Feb 2015
AbstractforRASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials | Full Text | References | PDF (969.1 KB)
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Article
The structure and electronic properties of dislocations studied by first-principles and molecular dynamics
S.Y. Ma & J.X. Zhang
Pages: 102-109
Published online: 16 Mar 2015
AbstractforThe structure and electronic properties of dislocations studied by first-principles and molecular dynamics | Full Text | References | PDF (613.9 KB)
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Thermal conductivity of ferromagnetic metallic La0.95Ag0.05MnO3 manganites: role of carrier, spin waves and lattice–impurity scattering
Dinesh Varshney, Dinesh Choudhary, Meenu Varshney & Namita Singh
Pages: 110-121
Published online: 24 Mar 2015
AbstractforThermal conductivity of ferromagnetic metallic La0.95Ag0.05MnO3 manganites: role of carrier, spin waves and lattice–impurity scattering | Full Text | References | PDF (432.7 KB)
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A coarse grained molecular dynamics study on the structure and stability of small-sized liposomes
Hideaki Tamai, Naoko Okutsu, Yuki Tokuyama, Eisuke Shimizu, Satoshi Miyagi, Sergiy Shulga, Victor I. Danilov & Noriyuki Kurita
Pages: 122-130
Published online: 19 Mar 2015
AbstractforA coarse grained molecular dynamics study on the structure and stability of small-sized liposomes | Full Text | References | PDF (1.1 MB) | Supplemental
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Effect of temperature on welding of metallic nanowires investigated using molecular dynamics simulations
Cheng-Da Wu, Te-Hua Fang & Chung-Chin Wu
Pages: 131-137
Published online: 16 Mar 2015
AbstractforEffect of temperature on welding of metallic nanowires investigated using molecular dynamics simulations | Full Text | References | PDF (687.5 KB)
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Article
Structural basis and energy landscape of apigenin-induced cancer cell apoptosis mechanism in PI3K/Akt pathway
Ruizhi Duan, Feifei Tian & Jiaoyang Sun
Pages: 138-148
Published online: 30 Apr 2015
AbstractforStructural basis and energy landscape of apigenin-induced cancer cell apoptosis mechanism in PI3K/Akt pathway | Full Text | References | PDF (1.3 MB)
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XPairIt Docking Protocol for peptide docking and analysis
Michael S. Sellers & Margaret M. Hurley
Pages: 149-161
Published online: 23 Apr 2015
AbstractforXPairIt Docking Protocol for peptide docking and analysis | Full Text | References | PDF (670.9 KB)
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