Molecular Modeling: Advancements and Applications

• Molecular Modeling and Spectroscopic Studies on the Interaction of Transresveratrol with Bovine Serum Albumin, Xiaoli Liu, Yonghui Shang, Xudong Ren, and Hua Li
  Volume 2013 (2013), Article ID 494706, 7 pages
• The Uptake Mechanism of the Cell-Penetrating pVEC Peptide, Ihsan Omur Akdag and Elif Ozkirimli
  Volume 2013 (2013), Article ID 851915, 9 pages
• Toward Structure Prediction for Short Peptides Using the Improved SAAP Force Field Parameters, Kenichi Dedachi, Taku Shimosato, Toshiya Minezaki, and Michio Iwaoka
  Volume 2013 (2013), Article ID 407862, 13 pages
• Influence of Pyrazine Ring Doping on the ¹⁵N and ¹¹B NMR and Electronic Structure Parameters in Zigzag Boron Nitride Nanotube: A DFT Study, Sattar Arshadi, Ameneh Asghari, Hojatollah Raheimi, and Saboora Abedini
  Volume 2013 (2013), Article ID 948010, 10 pages
• Nuclear Magnetic Resonance Parameters of Pure and Diborinin-Doped (6,0) Single-Walled Zigzag BNNT: DFT Study, Sattar Arshadi, Saboora Abedini, Ameneh Asghari, and Fatemeh Alipour Zaghmarzi
  Volume 2013 (2013), Article ID 421091, 9 pages
• ITP Adjuster 1.0: A New Utility Program to Adjust Charges in the Topology Files Generated by the PRODRG Server, Diogo de Jesus Medeiros, Wilian Augusto Cortopassi, Tanos Celmar Costa França, and André Silva Pimentel
  Volume 2013 (2013), Article ID 803151, 6 pages
• On the Difference between Self-Assembling Process of Monomeric and Dimeric Surfactants with the Same Head to Tail Ratio: A Lattice Monte Carlo Simulation, Reza Behjatmanesh-Ardakani and Maryam Farsad
  Volume 2013 (2013), Article ID 525948, 7 pages
• Adsorption of Trinitrotoluene on a MgO(001) Surface Including Surface Relaxation Effects, Thiago Guerra and Itamar Borges Jr.
  Volume 2013 (2013), Article ID 359202, 8 pages