1st Edition

Molecular Modeling at the Atomic Scale Methods and Applications in Quantitative Biology

Edited By Ruhong Zhou Copyright 2015
388 Pages
by CRC Press

388 Pages 48 B/W Illustrations
by CRC Press

388 Pages
by CRC Press

Although molecular modeling has been around for a while, the groundbreaking advancement of massively parallel supercomputers and novel algorithms for parallelization is shaping this field into an exciting new area. Developments in molecular modeling from experimental and computational techniques have enabled a wide range of biological applications. Responding to this renaissance, Molecular... Read more

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.

Biography

Ruhong Zhou