Kevin Cahill 2, ∗ and V. Adrian Parsegian † Department of Physics and Astronomy, University of New Mexico, Albuquerque, NM 87131 Center for Molecular Modeling, Center for Information Technology, National Institutes of Health, Bethesda, Maryland 20892-5624 National Institute of Child Health and Human Development, National Institutes of Health, Bethesda, Maryland 20892-0924 (Dated: February 9, 2008)

We discuss recent progress in hybrid atomistic-continuum methods with particular emphasis on developments in boundary condition imposition in molecular simulations, an essential ingredient of hybrid methods. Both Dirichlet (state variable) and flux boundary conditions are discussed. We also briefly review various coupling approaches and discuss the effects of compressibility and molecular fluct...

The state of the art of molecular modeling with particular attention to the possibilities of application to process simulation is reviewed in this paper. The basic principles of molecular modeling are presented, as well as the recent achievements in direct applications of the methods. Modeling in process engineering is discussed, showing how different models and theories must be applied for dif...

Muscle-specific kinase (MuSK) is a crucial receptor tyrosine kinase required for the development and function of neuromuscular junction. Although many domains of the protein have already been modeled with crystallographic techniques in various organisms, a single model for the whole human structure is not yet available. We have tried to predict a complete model of the protein, by using two para...

This chapter provides a comprehensive overview of state-of-the art research on molecular communication—a molecule-based communication paradigm for biological machines. Unlike current telecommunications based on electric or optical signals, molecular communication exploits biological molecules as information carriers. In molecular communication, senders of communication encode information onto m...

Article history: Received 21 July 2013 Received in revised form 17 October 2013 Accepted 27 November 2013 Available online 1 December 2013

The new edition of Organic Synthesis has been revised and rewritten from front to back. I want to thank all who used the book in its first and second editions. The book has been out of print for several years, but the collaboration of Warren Hehre and Wavefunction, Inc. made the third edition possible. It is the same graduate level textbook past users are familiar with, with two major exception...

The thesis of this work is that the realism afforded by current computer graphical methods for modelling and animating fire can be improved. To prove this, a physically-based modelling technique and a procedural texture modelling technique will be combined to model a real-time fire. The aim is improve the realism and visual quality of real-time animated fire. This project specifically will focu...