Physical and Quantitative Biology, CHE/PHY 558
Fall 2016 / MWF 10 – 10:50 AM in Laufer Center 101
Gabor Balazsi, Course PI
Course goals: The central idea of this course is the free energy, the quantitative way we understand thermodynamic forces driving, i.e., the equilibria and transition rates in chemistry, physics and biology. We describe the underpinning components of free energy, the entropy and internal energy. We explore the microscopic interactions - including hydrogen bonding, van der Waals interactions, electrostatics and hydrophobic forces - that explain physical and chemical mechanisms in biology and are the workhorse tools in computational drug discovery. We show how these basic ideas are applied: binding affinities form the basis for drug discovery; coupled binding explains how biological machines convert energy and transduce signals or regulate gene activity; and polymer free energies form the basis for the folding of protein and RNA molecules.
(Click here to open the course webpage of 2015)
(Click here to open the course webpage of 2014)
Please login to get the links to the videos
Date | Topic | Reading | Speaker |
---|---|---|---|
08/29 | Intro. Probability, statistics [watch video: ] [Slides] |
MDF1, 2 | Gabor Balazsi |
08/31 | Entropy and energy as driving forces [watch video: ] [Slides] |
MDF 2, 3 | Gabor Balazsi |
09/02 | Optimization methods [watch video: ] [Slides] |
MDF 4 | Gabor Balazsi |
09/05 | NO CLASS, Labor day | ||
09/07 | Max Ent & the Boltzmann principle. [watch video: ] [Slides] |
MDF 5 | Gabor Balazsi |
09/09 | Energies vs. Entropy formulation, thermo states [watch video: ] [Slides] |
MDF 6 | Gabor Balazsi |
09/12 | Free energies, chemical potentials [watch video: ] [Slides] |
MDF 8, 9 | Gabor Balazsi |
09/14 | Microscopic modeling & Boltzmann Law [watch video: ] [Slides] |
MDF 10 | Gabor Balazsi |
09/16 | Equilibrium constants, binding affinities [watch video: ] [Slides] |
MDF 13 | Gabor Balazsi |
09/19 | Liquids, phase equilibria [watch video: ] [Slides] |
MDF 14 | Gabor Balazsi |
09/21 | Solvation, free energies of transfer [watch video: ] [Slides] |
MDF 15,16 | Gabor Balazsi |
09/23 | Diffusion, Fick's Law, Physical Dynamics [watch video: ] [Slides] |
MDF 17, 18 | Gabor Balazsi |
09/26 |
Chemical rates. Mass-action kinetics |
MDF 19 | Gabor Balazsi |
09/28 |
Transition states & activation processes |
MDF 19 | Gabor Balazsi |
09/30 |
Coulomb & electrostatics: how charges interact |
MDF 20 | Gabor Balazsi |
10/03 |
Electrostatic potentials |
MDF 21 | Gabor Balazsi |
10/05 |
Electrochemical equilibria, batteries |
MDF 22 | Gabor Balazsi |
10/07 |
Salts shield charges. Poisson-Boltzmann |
MDF 23 | Gabor Balazsi |
10/10 |
Intermolecular interactions |
MDF 24 | Gabor Balazsi |
10/12 |
Adsorption & binding, Michaelis-Menten, catalysis |
MDF 27 | Gabor Balazsi |
10/14 |
Binding cooperativity |
MDF 28 | Gabor Balazsi |
10/17 | MIDTERM EXAM | ||
10/19 | Polymers 1: conformations & random flights [watch video: ] [Slides] |
MDF 33, 34 | Helmut Strey |
10/21 | Polymers 2: polymer solutions, Flory-Huggins [watch video: ] [Slides] |
MDF 32, 33 | Helmut Strey |
10/24 |
Bio-machine principles |
MDF 29 | Jason Wagoner |
10/26 |
Water: pure and as a solvent |
MDF 30, 31 | Emiliano Brini |
10/28 |
Protein structures |
PP1 | Emiliano Brini |
10/31 | Protein function & mechanisms [watch video: ] [Slides] |
PP2 | James Robertson |
11/02 | Protein folding & stability [watch video: ] [Slides] |
PP3 | James Robertson |
11/04 | Cooperativity in proteins [watch video: ] [Slides] |
PP5 | James Robertson |
11/07 | No class | ||
11/09 | Protein folding: kinetics, Landscapes, and Aggregation [watch video: ] [Slides] |
PP6 | Jason Wagoner |
11/11 | Protein evolution and sequence space [watch video: ] [Slides] |
PP7 | Alberto Perez |
11/14 | Bioinformatics [watch video: ] [Slides] |
PP8 | Alberto Perez |
11/16 | Gene regulation [watch video: ] [Slides] |
Gabor Balazsi | |
11/18 | Natural and synthetic gene networks [watch video: ] [Slides] |
Gabor Balazsi | |
11/21 | Drug discovery & methods [watch video: ] [Slides] |
Rob Rizzo | |
11/23 | NO CLASS, Thanksgiving break | ||
11/25 | NO CLASS, Thanksgiving break | ||
11/28 | Drug discovery in industry | John H. Van Drie, Van Drie Research, LLC | |
11/30 | Biological laboratory visit | Meet in front of LC 101 at 10 am. | |
12/02 | Research Project Presentations | ||
12/05 | Drug discovery in industry | Wendy Cornell, Merck & Co. | |
12/07 | FINAL EXAM |
MDF = Molecular Driving Forces, chapter numbers.
PP = Protein Principles, draft textbook.
ACADEMIC INTEGRITY
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Students are expected to notify the course professors by email of their intention to take time out for religious observance. This should be done as soon as possible but definitely before the end of the add/drop¹ period. At that time they can discuss with the instructor(s) how they will be able to make up the work covered.
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