With this course the student acquire practical and theoretical knowledge about Molecular Biophysics and its relevance within Bioinformatics. The course includes:
-Concepts of Thermodynamics and Kinetics. Statistical thermodynamics
-Macromolecules: Energetics, Folding, Conformational dynamics
-Macromolecular processes: Binding energetics and structure of complexes, Enzymes and catalysis, Molecular Transport.
Teachers
Person in charge
Josep Lluis Gelpi Buchaca (
)
Weekly hours
Theory
2
Problems
2
Laboratory
0
Guided learning
0
Autonomous learning
6
Objectives
To acquire basic knowledge from the scope and tools of molecular biophysics, and how bioinformatics can help to its development
Related competences:
K1,
S6,
To apply mathematical foundations, algorithmic principles and computational theories in the modeling and design of biophysics experiments
Related competences:
K6,
S8,
S9,
To identify meaningful and reliable sources of scientific information to substantiate the state of arts of a biophysics problem and to address its resolution.
Related competences:
K6,
S6,
S8,
S9,
C7,
C6,
Contents
Part 0. Introduction. Molecular biophysics from bioinformatics perspective
Definition of molecular biophysics. Interaction with other subjects. Reference data. Experimental data and associated problem. Calculable magnitudes and limitations. Model Systems. Limitations and approximations. Validation and experimental design
Part 1. Advanced concepts of thermodynamics and kinetics
Thermodynamics and Statistical thermodynamics. Chemical kinetics: Transition State theory. Activation Energies, rate equations. Relaxation processes. Diffusion.
Part 2: Macromolecules. Energetics and dynamics
Macromolecular energetics: Stability. Energy components. Enthalpic and Entropic terms. Solvation. Methods for Energy evaluation. Folding of Macromolecules: Energy landscape, Folding models, Intrinsical disordered proteins. Dynamics of Macromolecules: Concept of conformational ensemble. Generation of ensembles. Biomolecular simulation
Part 3: Biomolecular processes
Macromolecular recognition and binding: Structure of complexes. Energetics of binding. Thermodynamic cycles. Alchemical cycles. Catalysis: Strategies of catalysis. Enzyme kinetics and mechanism. Energy coupling. Evaluation of kinetic constants. Transport: Biological Membranes, Transport models. Electrophysiology. Energy coupling.
Activities
ActivityEvaluation act
Final Exam
Final exam including all contents Objectives:123 Week:
1 (Outside class hours)
(4h) Part 0. Introduction. Molecular biophysics from bioinformatics perspective
Definition of molecular biophysics. Interaction with other subjects. Reference data. Experimental data and associated problem. Calculable magnitudes and limitations. Model Systems. Limitations and approximations. Validation and experimental design
(6h) Part 1. Advanced concepts of thermodynamics and kinetics
1.1. Thermodynamics and Statistical thermodynamics.
1.2. Chemical kinetics: Transition State theory. Activation Energies, rate equations. Relaxation processes. Diffusion.
(8h) Part 2: Macromolecules. Energetics and dynamics
2.1. Macromolecular energetics: Stability. Energy components. Enthalpic and Entropic terms. Solvation. Methods for Energy evaluation.
2.2. Folding of Macromolecules: Energy landscape, Folding models, IDPs.
2.3. Dynamics of Macromolecules: Concept of conformational ensemble. Generation of ensembles. Simulation tools.
(8h) Part 3: Biomolecular processes
3.1. Macromolecular recognition and binding: Structure of complexes. Energetics of binding. Thermodynamic cycles. Alchemical cycles.
3.2. Catalysis: Strategies of catalysis. Enzyme kinetics and mechanism. Energy coupling. Evaluation of kinetic constants.
3.3. Transport: Biological Membranes, Transport models. Electrophysiology. Energy coupling.
Theory
27h
Problems
0h
Laboratory
0h
Guided learning
0h
Autonomous learning
20h
Guided Problem Solving
Theory
0h
Problems
10h
Laboratory
0h
Guided learning
0h
Autonomous learning
30h
Guided scripting programming
Theory
0h
Problems
4h
Laboratory
0h
Guided learning
0h
Autonomous learning
10h
Programming project in Biophysics
Theory
0h
Problems
8h
Laboratory
0h
Guided learning
0h
Autonomous learning
20h
Seminars
Theory
0h
Problems
6h
Laboratory
0h
Guided learning
0h
Autonomous learning
10h
Teaching methodology
- Theoretical lectures will be expository with the aid of graphics materials (slides, videos, computer demonstrations)
- Problem solving session will detail the methodology of solving selected problems. Will include expository and hands-on sessions
- Guided programming sessions will done in groups work in a "Hackathon" style to solve steps of the development of the desired goal. Programming language will be Python with the aid of the appropriate libraries as Biopython.
Evaluation methodology
For the evaluation of the subject, the grade of the mid term (MTE) and final (FE) and the grade of the practical sessions and programming project (Pract)
will be taken into account according ot he following formula:
Grade = MTE * 0.2 + FE * 0.6 + Pract * 0.2
A grade equal or superior to 5 is required to pass.
Students that have failed witha grade equal or superior to 3 may take the re-evaluation exam (RT), In this case the grade for the subject will be 0.2 * Pract + RT * 0.8.
Bibliography
Basic:
Introduction to Protein Structure. -
BRAND, Carl; TOOZE, John. ,
Garland Publishing, 1999.
Molecular Biophysics -
DAUNE, M,
Oxford: University Press, 1999.
Molecular Modelling: Principles and Applications -
Leach, A,
Harlow: Pearson Education, 2001.
Biophysics: an introduction -
COTTERILL, R,
Chichester : John Wiley & Sons, , 2002.
The biophysical chemistry of nucleic acids & proteins -
Creighton, Thomas E,
Helvetian Press, 2002.