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Identificació

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Dades generals

Curs acadèmic:
2020
Descripció:
Disseny computacional de biomolècules. Estudi computacional de reaccions bioquímiques.
Crèdits ECTS:
3

Grups

Grup BT

Durada:
Semestral, 1r semestre
Professorat:
SILVIA OSUNA OLIVERAS  / MARCEL SWART
Idioma de les classes:
Anglès (100%)

Competències

  • Capacitat per analitzar críticament a partir de la recollida d'informació i la interpretació de dades , situacions complexes i dissenyar estratègies creatives i innovadores per resoldre-les.
  • Saber comunicar-se oralment i per escrit en l'àmbit científic i professional , utilitzant les llengües pròpies i l'anglès.
  • Treballar en equip contribuint a l'elaboració de projectes específics i multidisciplinaris.
  • Aplicar els fonaments científics i el mètode científic ( reunir i gestionar dades per formular i comprovar hipòtesis ) per analitzar i explicar l'objecte d'estudi de la disciplina.
  • Relacionar les propietats macroscòpiques de la matèria amb les característiques i estructura de les molècules individuals incloent biomolècules i macromolècules ( naturals i sintètiques ).
  • Aplicar els principis i teories de la reactivitat química a l'estudi dels compostos orgànics i inorgànics i al desenvolupament dels processos.

Continguts

1. Course overview and Key Concepts

2. What is a protein/enzyme? Basics of structure and dynamics

3. Biomolecular interactions and ligand/substrate recognition

          3.1. Type of biomolecular interactions

          3.2. Computational modeling of biomolecular interactions

                    3.2.1. Quantum Mechanics

                    3.2.2. Molecular Mechanics

                    3.2.3. Molecular Dynamics

4. Basics of Enzyme catalysis: Transition state stabilization

          4.1. Theozyme concept

5. Enzyme Design: Experimental and Computational strategies

Activitats

Tipus d’activitat Hores amb professor Hores sense professor Hores virtuals amb professor Total
Anàlisi / estudi de casos 0 10,00 0 10,00
Elaboració individual de treballs 11,00 11,00 0 22,00
Exposició dels estudiants 1,00 4,00 0 5,00
Resolució d'exercicis 5,00 5,00 0 10,00
Sessió expositiva 6,00 12,00 0 18,00
Total 23,00 42,00 0 65

Bibliografia

  • Leach, Andrew R (1996 ). Molecular modelling : principles and applications . Harlow: Addison Wesley. Catàleg
  • Cramer, Christopher J (cop. 2002 ). Essentials of computational chemistry : theories and models . West Sussex: Wiley. Catàleg
  • Jensen, Frank (cop. 1999 ). Introduction to computational chemistry . Chichester [etc.]: John Wiley & Sons. Catàleg
  • Leach, Andrew R (cop. 2003). An Introduction to chemoinformatics . Dordrecht [etc.]: Kluwer Academic Publishers. Catàleg
  • Berg, Jeremy M.|q(Jeremy Mark) (cop. 2002 ). Biochemistry (5th. ed). New York: Freeman and Company. Catàleg

Avaluació i qualificació

Activitats d'avaluació:

Descripció de l'activitat Avaluació de l'activitat % Recuperable
Short oral defense of a small research study by the students. Explaining the problem. Presentation of the results. Critical analysis of the results. Discussion of the topics. 30
Written report of a small research study by the students. Preparation of a report about the research study. Design of the project and appropriateness of the methods, analysis of the results. 70

Qualificació

In the written report the project's design, the analysis of the results, the presentation of the results and the critical mindset towards these are evaluated (70% of the grade). In the oral defense the student's ability to explain the scientific problem, to present the results and to discuss in public are evaluated (30% of the grade).

The grades of the defense and the report are recoverable (100% of the subject).

Criteris específics de la nota «No Presentat»:
The grade NP is only given to those who have not delivered anything to be evaluated during the course.

Avaluació única:
The "Avaluació única" is an unique evaluation (corresponding to 100% of the grade) based on an oral defense of a written report. The oral defense will be held on the same day as the oral defenses of the students following "Avaluació continuada".

Requisits mínims per aprovar:
A minimum grade of 5 out of 10 is needed to qualify for the course.

Tutoria

Tutoring sessions (preferably face-to-face or via Moodle, Google Meet or email) scheduled with prior notice via email or in person.

Comunicacio i interacció amb l'estudiantat

Communication and interaction with students will be done through the Moodle platform, preferably using the forum.

Observacions

The course is essentially practical.

Assignatures recomanades

  • Bioquímica
  • Termodinàmica química i estadística

Modificació del disseny

Modificació de les activitats:
Semi-face-to-face scenario: the lectures will be held in person in the classroom by up to half of the students (in turns) and will be streamed for the other students.

Lockdown scenario: the lectures will be recorded by the teachers and the videos will be uploaded to the Moodle platform. In addition, student support material will be provided.

Treatment of vulnerable or temporarily confined students: the syllabus will be provided through the Moodle platform as well as additional material in the form of videos.

Modificació de l'avaluació:
Semi-face-to-face scenario: the assessment activities (oral defense of small report) will be face-to-face following the appropriate security measures.

Lockdown scenario: the evaluation activities (oral defense of small report) will be done online through the appropriate platform (Moodle, Meet, Teams)

Treatment of vulnerable or temporarily confined students: assessment activities (oral defense of small report) will be done online through the appropriate platform (Moodle, Meet, Teams)

Tutoria i comunicació:
Semi-face-to-face scenario: the tutoring sessions will consist of hours agreed between the student and the teacher. The student will send an email to the teacher requesting tutoring and will stay on a specific day / time. They will be face-to-face or virtual tutorials through the appropriate platform (Meet, Teams).

Lockdown scenario: Tutoring sessions will consist of hours agreed between the student(s) and the teacher. The student(s) will send an email to the teacher requesting tutoring and will stay on a specific day / time. The tutoring session will be online through the appropriate platform (Meet, Teams).

Treatment of vulnerable or temporarily confined students: Tutoring sessions will consist of hours agreed between the student and the teacher. The student will send an email to the teacher requesting tutoring and will stay on a specific day / time. The tutoring session will be online through the appropriate platform (Meet, Teams).