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Journal of Organic and Biomolecular Simulations

ISSN 2325-2170 (print)eISSN 2325-2189 (online) Open access
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Journal of Organic and Biomolecular Simulations is an international peer-reviewed journal providing the latest research that enables researchers to evaluate current research and technologies. Articles emphasize technical and scientific applications such as computer-aided molecular design; rational drug design, de novo ligand design, receptor modeling and docking; cheminformatics, data analysis, visualization and mining; computational medicinal chemistry; homology modeling; simulation of peptides, DNA and other biopolymers; quantitative structure-activity relationships (QSAR) and ADME-modeling; modeling of biological reaction mechanisms; and combined experimental and computational studies in which calculations play a major role.

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  1. Research Article · Open access · Published 11 Dec 2013A Quantum Mechanical Study of Structural and Electronic Dilution Effects in Paramagnetic Chemical Exchange Saturation Transfer AgentsWhelton A. Miller III, Preston B. MooreVol. 1, Issue 1, pp. 1–13View PDF28,364 accesses