Max Bonomi and I have edited this book on Biomolecular Simulations that is eventually published! The book explores the recent advancements in biomolecular simulations of proteins, small molecules, and nucleic acids, with a primary focus on classical molecular dynamics simulations at atomistic, coarse-grained, and quantum/ab-initio levels.
Part One looks at recent techniques used in the development of physic-chemical models of proteins, small molecules, nucleic acids, and lipids;
Part Two discusses enhanced sampling and free-energy calculations;
Part Three talks about integrative computational and experimental approaches for biomolecular simulations; and
Part Four focuses on analyzing, visualizing, and comparing biomolecular simulations.