What are the definitions of the terms "modeling" and "simulation" in the context of biomolecules and/or proteins?
Examples will be highly appreciated.
Also, please, back them up with authoritative references.
The definitions I found don't reflect molecular biology or related fields. E.g. Principles of Modeling and Simulation A Multidisciplinary Approach (edited by John A. Sokolowski and Catherine M. Bank) contains those definitions.
MODELS: APPROXIMATIONS OF REAL - WORLD EVENTS
A model is a representation of an event and/or things that is real (a case study) or contrived (a use - case). It can be a representation of an actual system. It can be something used in lieu of the real thing to better understand a certain aspect about that thing. To produce a model you must abstract from reality a description of a vibrant system. The model can depict the system at some point of abstraction or at multiple levels of the abstraction with the goal of representing the system in a mathematically reliable fashion. A simulation is an applied methodology that can describe the behavior of that system using either a mathematical model or a symbolic model  . Simply, simulation is the imitation of the operation of a real - world process or system over a period of time  . As you will see there are many uses of M & S. M & S can be used to determine the ordering policies of Wal - Mart ’ s extensive inventory system, or it can be used to analyze the prospects and rate of rehabilitation of a patient who just underwent knee - replacement surgery, or it can be used to evaluate ocean currents and waves to better understand weather patterns.
M & S begins with 1) developing computer simulation or a design based on a model of an actual or theoretical physical system, then 2) executing that model on a digital computer, and 3) analyzing the output. Models and the ability to act out with those models is a credible way of understanding the complexity and particulars of a real entity  . From these three steps you can see that M & S facilitates the simulation of a system and then a testing of the hypothesis about that system. For example, if you wanted to determine how many cashiers are needed to process a certain number of customers during rush hour with the assurance that the store ’ s high level of quality service was not compromised, you must fi rst research the current system of processing customers.
However, I am not sure if they are applicable for molecular or biomolecular modeling.