ECTS credits ECTS credits: 4.5
ECTS Hours Rules/Memories Hours of tutorials: 2 Expository Class: 24 Interactive Classroom: 10 Total: 36
Use languages Spanish, Galician
Type: Ordinary subject Master’s Degree RD 1393/2007 - 822/2021
Departments: Chemical Physics
Areas: Chemical Physics
Center Faculty of Sciences
Call: Second Semester
Teaching: With teaching
Enrolment: Enrollable | 1st year (Yes)
Upon completion, students should be able to
- Know the characteristics and role that non-covalent interactions play in molecular recognition in biomolecules.
- Know the most important experimental techniques and their potential for the study of biomolecule interactions.
- Recognize the most appropriate experimental techniques to solve each problem.
- Become familiar with scientific research articles in this field.
- Manage databases of molecular structures.
- Use computer programs to visualize the structure of biomolecules and their complexes.
- Know the possibilities offered by computational simulation methods for the identification and characterization of interactions in biological systems
• Non-covalent interactions that are part of the interactome.
• Introduction to the study of supramolecular structures of biological molecules.
• Experimental techniques for the study of biomolecules such as calorimetry, X-ray diffraction and dispersion, optical and electron microscopy, light scattering, nuclear magnetic resonance for non-covalent inter and intramolecular interactions...
• Management of international reference databases of molecular structures and visualization tools for proteins, crystals...
• Use of molecular simulation to study molecular interactions.
These contents will be structured approximately as follows:
BLOCK 1. FUNDAMENTALS
TOPIC 1. Introduction. Molecular recognition. Supramolecular Chemistry. Basic aspects of recognition between molecules. Recognition models.
TOPIC 2. Non-covalent interactions. Theoretical models for the description of interactions between molecules. Types of interactions: hydrogen bonding, ion pairs, π stacking, cation-π interaction, etc. Water and hydrophobic effect.
BLOCK 2. SIMULATION
TOPIC 3. Basic tools. Linux, Bash , Python.
TOPIC 4. Structure: databases and visualization. Molecular visualization programs
TOPIC 5. Methods based on force fields. Molecular Mechanics. Molecular Dynamics. Monte Carlo. Docking .
TOPIC 6. Electronic structure. Quantum chemistry. QM/MM methods.
BLOCK 3. EXPERIMENTAL METHODS
TEMA 7. Review and application of optical (bright field, polarized light, fluorescence, confocal ...) and electronic microscopy techniques (TEM, SEM, AFM, cryo-TEM, cryo-SEM, electron diffraction...)
TOPIC 8. Review and application of nuclear magnetic resonance techniques to study covalent and non-covalent inter- and intramolecular interactions.
TOPIC 9. Review and application of X-ray diffraction and dispersion techniques, light scattering, calorimetry, MALDI TOF...
- Physical chemistry for the biological sciences, 2nd ed., G. G. Hammes, S. Hammes-Schiffer, Wiley & Sons, New Jersey, 2015.
- Modern Physical Organic Chemistry, E. van Anslyn; D. A. Dougherty, University Science Books, 2006.
- Molecular Modelling. Principles and Applications, A. R. Leach, Pearson Education, 2001.
- Nuclear Magnetic Resonance Spectroscopy: An Introduction to Principles, Applications, and Experimental Methods, 2nd ed., E. P. Mazzola, C. D. Ridge, J. B. Lambert, Wiley, 2004.
- Fundamentals of Light Microscopy and Electronic Imaging, D. B. Murphy, M. W. Davidson, John Wiley & Sons, 2012.
Further reading
- Supramolecular Chemistry, J. W. Steed, J. L. Atwood, Wiley, 2022.
- Molecular modelling for beginners, A. Hinchliffe, 2nd ed., John Wiley & Sons, 2008.
- Protein-Ligand Interactions, Ed. H. J. Böhm y G. Schneider, Wiley, 2003.
- Protein-Ligand Interactions, Ed. H. Gohlke, Wiley, 2012.
- The theory of Intermolecular Forces, A. J. Stone, 2nd ed, Oxford University Press, 2013.
- Intermolecular and Surface Forces, J. N. Israelachvili, Elsevier, 2011.
Materials to help study and learn the contents will be provided, and more specific and current bibliography will be used for some of the topics covered in the subject.
(This list is provisional and is subject to possible modifications with prior notice to the students)
• Comp01 - Develop the ability to properly organize and plan work, based on a synthesis and analysis that allows decision making
• Comp04 - That students know how to apply theoretical-practical knowledge in a professional manner and are competent in posing/solving problems in both academic and professional contexts related to Molecular Biosciences
• Con07 - Know the map of relationships between molecules that are part of the interactome and learn to characterize them
• H/D04 - Use advanced tools of information and communication technologies ( ICTs ) to produce and evaluate the results generated within the scope of work
A) Lectures
Lesson taught by the teacher that can have different formats (theory, general problems and/or examples, general guidelines of the subject...). For each subject, students will have at their disposal in the subject's virtual classroom the transparencies, figures and diagrams that the teacher will use in their classes.
B) Seminar
Theoretical-practical class in which applications of theory, problems, exercises... are proposed and solved. The student actively participates in these classes.
C) Practices in the computer classroom
They consist of database management, use of Internet resources, calculation tools and mathematical simulation, programming and specialized software related to the topic of study.
D) Presentation in class: (of a project, exercise, etc.):
These presentations usually correspond to the end of a task or project. They may be carried out by individual students or by groups of students, and the public presentation phase may be carried out by all of them or by only one or more members. In this type of activities, the contributions of the teacher and the rest of the students acquire special importance.
E) Tutorials (individual or in very small groups)
They allow individualized contact with the student, so their objective is to guide the student on specific aspects of learning (practical cases, work or presentations to be carried out, etc.) or resolve any doubts that may arise.
ATTENDANCE:
Attendance to practices is mandatory (presential sessions in the faculty of Science) unless duly justified exceptional cause. Absences must be documented, accepting examination and health reasons, as well as those cases contemplated in current university regulations.
STUDENT EVALUATION:
The passing grade will be obtained with a final grade of 5 out of 10. The student's final grade, both in the first and second opportunities, will be based on the evaluation of the following aspects:
- 50% of the final grade: continuous evaluation based on participation in classes, delivery of proposed exercises, performance in practices , seminars and tutorials . It will be necessary to obtain a minimum grade of 4 out of 10 to pass the subject.
Competencies evaluated: Comp01, Comp04, Con07, H/D04
- 50% of the final grade: evaluation with a final exam of the subject that may include conceptual questions, development questions, multiple choice questions and problems. It will be necessary to obtain a minimum grade of 4 out of 10 in the exam to pass the subject.
Competencies evaluated: Comp04, Con07
The evaluation of the second opportunity will follow the same criteria. The continuous evaluation grade remains the same as that of the first opportunity, and only the exam will be repeated.
The number of contact hours for this subject amounts to 36 (not counting exams), so the student should dedicate about 76 hours of personal work, divided between autonomous study to deepen the theoretical contents and the application of these contents to the resolution of problems and issues. Likewise, part of this time is dedicated to the preparation and resolution of issues associated with the work carried out in the practices.
classes : 24 hours in person; 42 personal work.
Seminars: 2 hours in person; 7 personal work.
Tutorials: 2 hours in person, 2 of personal work.
Internships: 8 contact hours, 9.5 of personal work.
Final exam: 4 contact hours, 16 of personal work.
• It is important to keep the study of the subject “up to date” and actively participate in classroom sessions.
• Once a topic has been completed, it is useful to summarize the important points, identifying the basic aspects and making sure you know both their meaning and the conditions under which they can be applied.
• Use individualized tutorials to resolve doubts that may arise when advancing through the contents of the subject .
• It is recommended to regularly consult the virtual classroom of the subject, where the teaching guide for the subject, the practice scripts, bulletins of problems and solutions and other complementary material will be available to help students in their study (transparencies, web links, etc. .). In addition, delivery and continuous evaluation activities will be managed through the subject's virtual classroom.
Classes are taught in Galician and/or Spanish
In cases of fraudulent performance of exercises or tests, the procedures contained in the "Regulations for evaluating student academic performance and reviewing grades" will be applied.
Enrique Manuel Cabaleiro Lago
- Department
- Chemical Physics
- Area
- Chemical Physics
- caba.lago [at] usc.es
- Category
- Professor: University Professor
Aida Jover Ramos
Coordinador/a- Department
- Chemical Physics
- Area
- Chemical Physics
- aida.jover [at] usc.es
- Category
- Professor: University Lecturer
| Monday | |||
|---|---|---|---|
| 13:00-14:00 | Grupo /CLE_01 | Galician, Spanish | 1P CLASSROOM 1 FIRST FLOOR |
| Tuesday | |||
| 13:00-14:00 | Grupo /CLE_01 | Galician, Spanish | 1P CLASSROOM 1 FIRST FLOOR |
| Friday | |||
| 13:00-14:00 | Grupo /CLE_01 | Galician, Spanish | 2P CLASSROOM 2 SECOND FLOOR |
| 05.16.2025 16:00-19:00 | Grupo /CLE_01 | 1P CLASSROOM 1 FIRST FLOOR |
| 06.24.2025 16:00-19:00 | Grupo /CLE_01 | 1P CLASSROOM 1 FIRST FLOOR |