Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently bee
Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge
Molecular modeling is becoming an increasingly important part of chemical research and education as computers become faster and programs become easier to use. T
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Com
Molecular Dynamic Simulation: Fundamentals and Applications explains the basic principles of MD simulation and explores its recent developments and roles in adv