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1) Diana Barraza-Jiménez, Manuel Alberto Flores-Hidalgo, Donald H. Galvan, Esteban Sánchez and Daniel Glossman-Mitnik
Computational characterization of sodium selenite using density functional theory
Journal of Molecular Modeling
Volume 17, Number 4, 701-708

DOI:

http://dx.doi.org/10.1007/s00894-010-0766-9

2) Li Zhao, Xue-Mei Duan, Xiang-Gui Xue, Ming-Hui Li and Ze-Sheng Li
Self-assembled monolayers of oligosilane on the silicon (001) surface: molecular dynamics simulations
Journal of Molecular Modeling
Volume 17, Number 4, 721-726

DOI:

http://dx.doi.org/10.1007/s00894-010-0774-9

3) Takahiro Ohkubo, Koh Kidena, Naohiko Takimoto and Akihiro Ohira
Molecular dynamics simulations of Nafion and sulfonated polyether sulfone membranes. I. Effect of hydration on aqueous phase structure
Journal of Molecular Modeling
Volume 17, Number 4, 739-755

DOI:

http://dx.doi.org/10.1007/s00894-010-0767-8

4) Matthew Paul Gleeson, Songpon Deechongkit and Somsak Ruchirawat
Molecular dynamics investigation of psalmopeotoxin I. Probing the relationship between 3D structure, anti-malarial activity and thermal stability
Journal of Molecular Modeling
Volume 17, Number 4, 769-775

DOI:

http://dx.doi.org/10.1007/s00894-010-0732-6

5) Santanab Giri, Arindam Chakraborty and Pratim Kumar Chattaraj
Potential use of some metal clusters as hydrogen storage materials—a conceptual DFT approach
Journal of Molecular Modeling
Volume 17, Number 4, 777-784

DOI:

http://dx.doi.org/10.1007/s00894-010-0761-1

6) Zabiollah Bolboli Nojini, Amir Abbas Rafati, Seyed Majid Hashemianzadeh and Sepideh Samiee
Predicting helium and neon adsorption and separation on carbon nanotubes by Monte Carlo simulation
Journal of Molecular Modeling
Volume 17, Number 4, 785-794

DOI:

http://dx.doi.org/10.1007/s00894-010-0769-6

7) Quan Chen, Wei Cui, Yuanhua Cheng, Fushi Zhang and Mingjuan Ji
Studying the mechanism that enables paullones to selectively inhibit glycogen synthase kinase 3 rather than cyclin-dependent kinase 5 by molecular dynamics simulations and free-energy calculations
Journal of Molecular Modeling
Volume 17, Number 4, 795-803

DOI:

http://dx.doi.org/10.1007/s00894-010-0762-0

8 ) Svetlana Marković, Jelena Đurđević, Svetlana Jeremić and Ivan Gutman
Triplet fluoranthenes: Aromaticity versus unpaired electrons
Journal of Molecular Modeling
Volume 17, Number 4, 805-810

DOI:

http://dx.doi.org/10.1007/s00894-010-0778-5

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