Molecular Modeling at the Atomic Scale (eBook, PDF)

Methods and Applications in Quantitative Biology
Redaktion: Zhou, Ruhong

• Format: PDF

Produktbeschreibung

Developments in molecular modeling from experimental and computational techniques have enabled a wide range of biological applications. This timely summary reflects the recent advances in bridging novel algorithms and high performance computing with characterization of important biological processes, such as folding dynamics of key proteins. It encompasses the perspectives of leading experts on this transformation in molecular biology, illustrating with state of the art examples how molecular modeling approaches are being applied to critical questions in modern quantitative biology.

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Produktdetails

• Verlag: Taylor & Francis
• Seitenzahl: 388
• Erscheinungstermin: 21. August 2014
• Englisch
• ISBN-13: 9781466562967
• Artikelnr.: 43978668

Inhaltsangabe

Introduction. I. Advanced Simulation Techniques. Novel sampling algorithms for molecular dynamics. Advanced free energy perturbation techniques. Massively parallel supercomputers and software for molecular dynamics. Development of modern polarizable force fields. MM-QM methods for enzymatic reactions. II. Self-Assembly of Biomolecules. Protein folding dynamics and pathways. Folding kinetics with Markov State Models. RNA folding. Misfolding and aggregation. III. Biomolecular Interactions. Protein-protein interactions. Protein-nanoparticle interactions. Ligand-receptor binding. RNA(DNA)-protein interactions. IV. Other Applications in Molecular Biology. Modeling of DNA sequencing with nanopore. Biological (confined) water dynamics. Enzymatic reaction pathways.