Wade, Rebecca

Jeffry D. Madura, Malcolm E. Davis, Michael K. Gilson, Rebecca C. Wade, Brock A. Luty, and J. Andrew McCammon, Biological Applications of Electrostatic Calculations and Brownian Dynamics Simulations. 

Lutz P. Ehrlich and Rebecca C. Wade, Protein-Protein Docking. 

Rebecca C. Wade, European Media Laboratory, Villa Bosch, Schloss-Wolfsbrunnenweg 33, D-69118 Eleidelberg, Germany (Electronic mail rebecca.wade eml.villa-bosch.de)... 

Lutz P. Ehrlich and Rebecca C. Wade, Protein-Protein Docking. Christel M. Marian, Spin-Orbit Coupling in Molecules. 

The next two chapters have the theme of molecular simulations of biomolecules. In Chapter 4, Jeffry D. Madura, Malcolm E. Davis, Michael K. Gilson, Rebecca C. Wade, Brock A. Luty, and J. Andrew McCammon, many of whom have been or are associated with the Institute of Molecular Design at the University of Houston, describe biological applications of electrostatic calculations and Brownian dynamics. Many of the readers of this review series are fully aware of molecular dynamics in general but are less certain about Brownian dynamics what it is, how to use it, and pitfalls to avoid. The authors discussion of molecular simulations in environments consisting of solvent and ions ties in with the Mackinac Island recommendation mentioned above, namely, the need for theoretical and computational chemists to continue to develop more reliable and realistic descriptions of molecular systems. Treating ion atmospheres found in real systems is a complex issue that is covered in this chapter. 

Rebecca C. Wade Thomas Wagener David J. Wales W. Patrick Walters Eberhard Warkentin Wendy A. Warr John D. Watts Jacques Weber Frank Weinhold David Weininger Ulrich Westhaus Eric Westhof... 

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