CCL: Call for papers

 Sent to CCL by: "Brian  Bennion" [bennion1]~[llnl.gov]
 Directions toward Combating Chemical and Biological Agents through Computational
 Approaches
 Call for Papers
 The globalization of terrorism after the September 11 attacks has contributed to
 the reemergence of chemical and biological agents as real threats to the world
 security. The ability to cause a massive number of casualties coupled with the
 cheapness and technologically simple production makes these agents particularly
 attractive to terrorists groups around the world. This has called the attention
 of the worlds scientific community to the urgency in making improvements to
 prevention and detection, as well as the development of new and more effective
 treatments for the victims.
 The design of new antidotes against chemical warfare and biological agents using
 computational approaches is of utmost importance. It should be kept in mind that
 computational methods play an essential role in modern medicinal chemistry.
 Nowadays, computational methods and 3D visualization are not used simply to
 depict pretty pictures of molecules in biological systems; indeed, these
 powerful computational tools allow one to obtain insights at the molecular level
 for enzyme-substrate interactions and reaction mechanisms and to correlate
 chemical/physical properties of molecules to efficacy, thus contributing
 significantly to the discovery, design, and optimization of potential
 therapeutics to defeat chemical and biological weapons.
 This special issue attempts to explore the computational approaches in the
 development of new antidotes against chemical agents as well as new drugs
 against biological agents, presenting research results and perspectives of
 experts from all over the world. We hope that this special issue will provide an
 attractive venue for chemists, physicists, computer scientists, and biologists
 in promoting the diffusion of knowledge for rational computational approaches as
 applied to chemical and biological defense.
 Potential topics include, but are not limited to:
     Design and simulation of materials applied to chemical defense
     Chemoinformatics and computational chemistry, methodological basis and
 applications to antidotes discovery against chemical and biological agents:
 QSAR-2, 3, and 4D approaches, docking methods, and molecular dynamics
 simulations
     Quantum chemistry and molecular mechanics (QM/MM) and high-performance
 computing (HPC)
     Bioinformatics, methodological basis and applications to drug design,
 target, or biomarkers discovery of chemical and biological agents: complex
 networks, nonlinear methods, software and web servers, artificial intelligence
 (AI), machine learning (ML), and bioinspired algorithms like artificial neural
 networks (ANN), or genetic algorithms
     Virtual high throughput screening (vHTS) of antidotes against chemical and
 biological agents and fragment based drug discovery
 Authors can submit their manuscripts via the Manuscript Tracking System at http://mts.hindawi.com/submit/journals/bmri/computational.biology/ccba/.
 Manuscript Due	Friday, 24 July 2015
 First Round of Reviews	Friday, 16 October 2015
 Publication Date	Friday, 11 December 2015