Special Issue "Algorithms and Molecular Sciences"

Guest Editor
Prof. Dr. Frank Hsu
Department of Computer & Information Sciences, Fordham University, 340 John Mulcahy Hall, 441 East Fordham Road, Bronx NY 10458, USA
Website: http://www.cis.fordham.edu/faculty/Frank-Hsu.html
E-mail:

Guest Editor
Dr. Christina Schweikert
Department of Computer & Information Sciences, Fordham University, 328 John Mulcahy Hall, 441 East Fordham Road, Bronx NY 10458, USA
Website: http://www.cis.fordham.edu/faculty/Christina-Schweikert.html
E-mail:

Related Special Issue: Algorithms and Molecular Sciences in Algorithms

Submission

All papers should be submitted to ijms@mdpi.org. To be published continuously until the deadline and papers will be listed together at the special issue website.

Submitted papers should not have been published previously, nor be under consideration for publication elsewhere. All papers are refereed through a peer-review process. A guide for authors is available on the Instructions for Authors page. The International Journal of Molecular Sciences is an international peer-reviewed monthly journal published by Molecular Diversity Preservation International.

Open Access publication fees are 800 CHF per paper. English correction fees and/or formatting fees (250 CHF) will be added in certain cases (1050 CHF per paper for those papers that require extensive additional formatting and/or English corrections).

Algorithms and Molecular Sciences

Type of Paper: Review
Title: A Survey of Multiscale Computational Methods: Examples from Shock-Wave and Polymer Physics
Authors: Martin Steinhauser
Affiliations: Fraunhofer Institute for High-Speed Dynamics, Ernst-Mach-Institute (EMI), Eckerstrasse 4, 79104 Freiburg, Germany; E-Mail : Martin.Steinhauser@emi.fraunhofer.de
Abstract: This paper reviews at first essential computational methods used on different length and time scales for the simulation of material behavior. The importance of modeling and its relevance for computational physics is discussed. Thereafter, results of corresponding computer simulations of a shocked macroscopic solid state using both a particle-based simulation method and a simulation method based on continuum theory are presented and their respective assets and drawbacks are discussed with a view to their application on multiscales. The prospects of computer simulations on the molecular and a coarse-grained length scale are discussed using a computational model of polymers which allows for simulating universal scaling properties of complex topological polymer structures including star-polymers, dendritic and hyperbranched structures.

Type of Paper: Article
Title: New Approach for Revealing of Tumor Margins
Authors: James Segala, Yana K. Reshetnyak and Oleg A. Andreev
Affiliations: Physics Department, University of Rhode Island, 2 Lippitt Rd, Kingston, RI 02881, USA
Abstract: The recurrence of certain cancers remains quite high due to incomplete removal of the primary tumor or the presence of small metastases that are invisible to the surgeon. Near infrared (NIR) fluorescence imaging could improve human-cancer surgery by providing sensitive, specific, and real-time visualization of normal and diseased tissues during surgery if agents can be found that discriminate between normal and diseased tissue and define tumor margins. We have developed new approach for the revealing of tumor borders by using NIR fluorescently labeled pHLIP (pH Low Insertion Peptide) and introducing computational program for quantitative assessment of tumor boundaries. The approach was applied for the in vivo co-localization of GFP-tumors and NIR emission from fluorescently labeled pHLIP.