This dissertation is focused on the application of Markov State Models on protein folding and designing of small drug-like molecules, as well as application of

The aim of this book volume is to explain the importance of Markov state models to molecular simulation, how they work, and how they can be applied to a range o

Understanding the molecular bases of human health could greatly augment our ability to prevent and treat diseases. For example, a deeper understanding of protei

Understanding the molecular bases of human health could greatly augment our ability to prevent and treat diseases. For example, a deeper understanding of protei

Applications in modern biotechnology and molecular medicine often require simulation of biomolecular systems in atomic representation with immense length and ti