- Hamid R. Noori, Central Institute of Mental Health
- Rainer Spanagel, Central Institute of Mental Health
The first thematic series of In Silico Pharmacology focuses on computational pharmacokinetics as an integral part of applications in computational pharmacology. In a collection of review articles, we attempt to cover the important topics of model structure, model parameterization, improved organ description, and modeling of drug-drug interactions, which are currently at the crossroads between several emerging disciplines and will shape the future of therapeutic treatments and public health.
First articles will be published in spring 2013
Computational Approaches to Addiction and Substance Abuse
Drug addiction remains one of the most important public health problems in western societies and is a rising concern for developing nations. Over the past 3 decades, experimental research on the neurobiology and psychology of drug addiction has generated a torrent of exciting data requiring a coherent synthesis. Recently, researchers from a broad spectrum of scientific discipline - from pharmacokinetics to neuroeconomics - have begun to take up this challenge. This thematic series highlights recent mathematical and neuro-computational models of drug addiction. This selection will illustrate how mathematical modeling can contribute to our understanding of the mechanisms underlying the transition between the different stages of addiction, from initiation of regulated drug use and subsequent loss of control over drug use to relapse after long-term abstinence.
Deadline for submissions: for abstracts May 1st, 2013; for articles August 1st, 2013
First articles will be published in summer 2013
G protein-coupled receptors: computer-aided ligand discovery and computational structural analyses in the 2010s
The crystallography of G protein-coupled receptors has recently entered a phase of rapid expansion that is fostering the flourishing of the structure-based discovery of ligands of this notable class of drug targets. This thematic issue, edited by Prof. Stefano Costanzi of American University, originates from the 31st Camerino-Cyprus-Noordwijkerhout Symposium held in May 2013 at the University of Camerino. Specifically, it originates from a session of the symposium entitled "G protein-coupled receptors: computational structural analyses in the 2010s: Finally a Reality".
Deadline for submissions: October 31st, 2013
Aims & scope
In Silico Pharmacology provides a forum for research articles conceiving the interface between computational and experimental work in pharmacology and toxicology. Primarily, interdisciplinary papers are published that address computational approaches in drug-design and multi-scale analysis of bioactive substances from the cellular up to behavioral level. The journal especially encourages deterministic and stochastic modeling of biological (e.g., biochemical, biophysical and immunological) processes leading to therapeutic advancements as well as mathematical methods characterizing the pharmacology of substances within the living organism. Papers investigating substance- or material-induced morphological and genetic alterations are also welcome. It is anticipated that all computational and experimental approaches are represented within In Silico Pharmacology.
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