Computational Science for the BioSciences

8/3/00


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Table of Contents

Computational Science for the BioSciences

SCIENCE: the study of how nature behaves

Computational Science: A Tripartite Approach

What is Computational Science?

Applications

Algorithms

Architecture

Computational Science Tools

BUT!! Why do we need this?

What Computational Science is NOT!

System Dynamics

AIDA Model: Diabetes Introduction

AIDA Model: Diabetes Treatments

Graph of Insulin Absorbtion over time (short and long acting)

Graph of Insulin Elimination: short and long acting

Conditions Associated with Diabetes

AIDA: Running the Model

Using the AIDA Model

STELLA Highlights

Mathematical Basis of STELLA (an intro to ODE's!)

Mathematical Basis of STELLA (an intro to ODE's!)

STELLA Implementation

STELLA Basic Elements

Case Study: Population Dynamics

Simple Variable List for Population Dynamics Model

Using Graphical Converters

Case Study: Predator-Prey -- Lynx and Hares

Case Study: Lynx-Hares Variables

The Numerical Methods

Case Studies

Epidemiology

Case Study: Simple Epidemiology Model: Influenza Epidemic in a Boarding School

Case Study: Influenza Epidemic

Case Study: Influenza Epidemic

Malaria: A Case Study

Malaria: Sudan Case Study

Malaria: Building the Model

Malaria: Building the Model

Malaria: Questions to Consider

Pharmacokinetics

What is Pharmacokinetics?

Glossary of Important Terms

Definitions of Symbols

Basic Pharmacokinetic Model

Your Pharmacokinetic Model

Algorithm Set for the Model

Initial Values

Run the Model!!

Goal: Therapeutic Success

Explorations

What is Human Physiology?

Some Examples of Systems

Windkessel Model

Windkessel Variables

Windkessel Basics

Windkessel Basics cont.

Windkessel Basics cont.

Initial Values For This Model:

Intro to Spartan/MacSpartan

Lab: Molecule building

Single Point Energy Calculations

SPE Calculations

Molecular Mechanics

ab initio methods

Semi-empirical methods

Presenting Information: Define the Subject

Presenting Information: Slide Design

Presenting Information: Slide Design (Continued)

Presenting Information: Slide Design (Continued)

Presenting Information: Slide Design (Continued)

Presenting Information: The “6 P” Rule

Author: Robert R. Gotwals, Jr.

Email: biomed@shodor.org

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