TY - CHAP A1 - Joseph M. Hayes A2 - Georgios Archontis ED1 - Lichang Wang Y1 - 2012-04-11 PY - 2012 T1 - MM-GB(PB)SA Calculations of Protein-Ligand Binding Free Energies N2 - Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This second book begins with an introduction of molecular dynamics simulations to macromolecules and then illustrates the computer experiments using molecular dynamics simulations in the studies of synthetic and biological macromolecules, plasmas, and nanomachines. Coverage of this book includes: Complex formation and dynamics of polymers Dynamics of lipid bilayers, peptides, DNA, RNA, and proteins Complex liquids and plasmas Dynamics of molecules on surfaces Nanofluidics and nanomachines BT - Molecular Dynamics SP - Ch. 9 UR - https://doi.org/10.5772/37107 DO - 10.5772/37107 SN - PB - IntechOpen CY - Rijeka Y2 - 2019-11-21 ER -