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Quantum Simulations of Materials and Biological Systems
Quantum Simulations of Materials and Biological Systems features contributions from leading world experts in the fields of density functional theory (DFT) and its applications to material and biological systems. The recent developments of correlation functionals, implementations of Time-dependent algorithm into DFTB+ method are presented. The applications of DFT method to large materials and biological systems such as understanding of optical and electronic properties of nanoparticles, X-ray structure refinement of proteins, the catalytic process of enzymes and photochemistry of phytochromes are detailed. In addition, the book reviews the recent developments of methods for protein design and engineering, as well as ligand-based drug design. Some insightful information about the 2011 International Symposium on Computational Sciences is also provided. Quantum Simulations of Materials and Biological Systems is aimed at faculties and researchers in the fields of computational physics, chemistry and biology, as well as at the biotech and pharmaceutical industries.
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Pattern Recognition in Bioinformatics
This book constitutes the refereed proceedings of the 8th IAPR International Conference on Pattern Recognition in Bioinformatics, PRIB 2014, held in Stockholm, Sweden in August 2014. The 9 revised full papers and 9 revised short papers presented were carefully reviewed and selected from 29 submissions. The focus of the conference was on the latest Research in Pattern Recognition and Computational Intelligence-Based Techniques Applied to Problems in Bioinformatics and Computational Biology.
Global Minimization of Nonconvex Energy Functions: Molecular Conformation and Protein Folding
This work contains refereed papers presented at an interdisciplinary scientific meeting attended by a mix of leading biochemists and computer scientists held at DIMACS in March 1995. It describes the development of a variety of new methods which are being developed for attacking the important problem of molecular structure. It is intended for graduate students and researchers in numerical analysis, molecular biology, biochemistry, computer science, engineering, and operations.
Pattern Recognition in Bioinformatics
This book constitutes the refereed proceedings of the 8th IAPR International Conference on Pattern Recognition in Bioinformatics, PRIB 2013, held in Nice, France, in June 2013. The 25 revised full papers presented were carefully reviewed and selected from 43 submissions. The papers are organized in topical sections on bio-molecular networks and pathway analysis; learning, classification, and clustering; data mining and knowledge discovery; protein: structure, function, and interaction; motifs, sites, and sequence analysis.
