Vol. 34 - nº 1 - March - 2004
Special Issue: Water - the essential molecule

Foreword

PAGES ARTICLES

3-16

A Review on the Dynamics of Water
Milton T. Sonoda, Ney H. Moreira, Leandro Martínez, Frank W. Favero, Sérgio M. Vechi, Lucimara R. Martins, and Munir S. Skaf

17-23 The Interpretation of Water Anomalies in Terms of Core-Softened Models
E. A. Jagla
24-31 Computer Simulation of Dynamical Anomalies in Stretched Water
P. A. Netz, F. Starr, M. C. Barbosa, and H. Eugene Stanley
32-37 Tiling in the Geometric Model for Water
M. Girardi, W. Figueiredo, N. Guisoni, and V. B. Henriques
38-41 Dielectric Constant and Density of Water as a Function of Pressure at Constant Temperature
Wely Brasil Floriano and Marco Antonio Chaer Nascimento
42-47 The Density of States and Band Gap of Liquid Water by Sequential Monte Carlo/Quantum Mechanics Calculations
P. Cabral do Couto, R. C. Guedes, and B. J. Costa Cabral
48-57 Group Contributions to the Solvation Free Energy from MST Continuum Calculations
Ignacio Soteras, Antonio Morreale, José María López, Modesto Orozco, and F. Javier Luque
58-63 Effect of Urea on Bovine Serum Albumin in Aqueous and Reverse Micelle Environments Investigated by Small Angle X-Ray Scattering, Fluorescence and Circular Dichroism
Rosangela Itri, Wilker Caetano, Leandro R. S. Barbosa, and Mauricio S. Baptista
64-72 Molecular Dynamics Simulation of the Sodium Octanoate Micelle in Aqueous Solution: Comparison of Force Field Parameters and Molecular Topology Effects on the Micellar Structure
André Farias de Moura and Luiz Carlos Gomide Freitas
73-83 Water at Interfaces and its Influence on the Electrical Properties of Adsorbed Films
Osvaldo N. Oliveira Jr., Antonio Riul Jr., and Vitor B.P. Leite
84-89 Conformational Stability of Furfural in Aqueous Solution: The Role of Hydrogen Bonding
Roberto Rivelino, Sylvio Canuto, and Kaline Coutinho
90-101 The Water Factor in the Protein-Folding Problem
L.F.O. Rocha, M.E. Tarragó Pinto, and A. Caliri
102-115 On the Role of Water in the Protein Activity
L. Degrève, G.H. Brancaleoni, C.A. Fuzo, M.R. Lourenzoni, F.M. Mazzé, A.M. Namba, and D.S. Vieira
116-125 On the Transferability of the SPC/L Water Model to Biomolecular Simulation
Alice Glättli, Chris Oostenbrink, Xavier Daura, Daan P. Geerke, Haibo Yu, and Wilfred F. van Gunsteren
126-136 On the Application of Simple Explicit Water Models to the Simulations of Biomolecules
Cristiano Ruch Werneck Guimarães, Gabriela Barreiro, César Augusto Fernandes de Oliveira, and Ricardo Bicca de Alencastro
137-141 The Effect of Temperature and LiClO4 in the Water Structure: A Raman Spectroscopy Study
Ana Maria Pereira Neto and Oswaldo Sala
142-147 The Proton Momentum Distribution in Water and Ice
G. F. Reiter, J. C. Li, J. Mayers, T. Abdul-Redah, and P. Platzman