Molecular Simulation

GUEST EDITORIAL
pp. 71-73(3)

Calcium Block of Sodium Current in a Model Calcium Channel: Cylindrical Atomistic Pore with Glutamate Side Chains
pp. 75-80(6)
Authors: Yang, Yan; Henderson, Douglas; Busath, David D.

Ion Transport in Simple Nanopores
pp. 81-87(7)
Authors: Chan, Kwong-Yu; Tang, Yuk W ai; Szalai†, István

Monte Carlo Simulation Study of a System with a Dielectric Boundary: Application to Calcium Channel Selectivity
pp. 89-96(8)
Authors: Boda, Dezső; Varga, Tibor; Henderson, Douglas; Busath, David D.; Nonner, Wolfgang; Gillespie, Dirk; Eisenberg, Bob

Interfaces in Molecular Docking
pp. 97-106(10)
Authors: Mitchell, Julie C.; Shahbaz, Sharokina; Ten Eyck, Lynn F.

Molecular Dynamics Simulations of Proton Transfer in a Model Nafion Pore
pp. 107-115(9)
Author: Spohr, E.

Facilitated Transport of Lipophilic Toxins Through Polysulfone Membrane using Albumin as a Carrier
pp. 117-120(4)
Authors: Shi, Wei; Zhang, Fengbao; Zhang, Guoliang; Jiang, Liqin; Wang, Shulan; Xu, Hui

A Non-Watson-Crick Motif of Base-pairing on Surfaces for Untethered Oligonucleotides
pp. 121-129(9)
Authors: Wong, Ka-Yiu; Vainrub, Arnold; Powdrill, Tom; Hogan, Michael; Pettitt, B. Montgomery

The Ice/Water Interface: Density-Temperature Phase Diagram for the SPC/E Model of Liquid Water
pp. 131-135(5)
Authors: Bryk, Taras; Haymet, A.D.J.

Monte Carlo and Density Functional Theory Study of the Electrical Double Layer: The Dependence of the Charge/Voltage Relation on the Diameter of the Ions
pp. 137-141(5)
Authors: Boda*, Dezsö; Henderson, Douglas; Plaschko‡, Peter; Ronald Fawcett¶, W.

Density Functional Theory of Square-well Chain Mixtures Near Solid Surface
pp. 143-147(5)
Authors: Zhang, Shuling; Cai, Jun; Liu, Honglai; Hu, Ying

Particle Size Dependence for Effective Charge Density of Ionic Colloids
pp. 149-152(4)
Authors: Yamanaka, Junpei; Hibi, Satoshi; Ikeda, Satoru; Yonese, Masakastu

Dynamic Light Scattering Studies in Silica/Ethylene Glycol Charged Colloidal System
pp. 153-158(6)
Authors: Tata, B.V.R.; Mohanty, P.S.; Yamanaka, J.; Kawakami, T.

Non-equilibrium Transport in and on Condensed Matters: Effects of Lattice Vibration and Deterministic Chaos
pp. 159-166(8)
Authors: Kopelevich, Dmitry I.; Chang, Hsueh-Chia

Rupture Analysis of the Corneal Mucus Layer of the Tear Film
pp. 167-172(6)
Authors: Zhang*, Yong Liang; Matar, Omar K.; Craster, Richard V.

A Density Functional Theory Study of the Reactions of Dichlorocarbene and Isodichloromethane with H₂O
pp. 173-178(6)
Authors: Li, Yun-Liang; Zuo, Peng; Phillips, David Lee

Molecular Dynamics Simulations of Nucleation
pp. 179-182(4)
Author: Toxvaerd, S.

Heat Transfer of Premelted Ice in Micro- and Nanometer-sized Powders
pp. 183-188(6)
Authors: Rao, Nanxia; Zhu, Da-Ming