Estudia

• 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

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

• 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

Activitats d'avaluació:

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 (60% 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 (40% of the grade).
Multiple-choice exam quizzes (5-10 questions) will be used through Moodle. Correct answers lead to bonus points, up to 1 point for the final grade if all questions of all quizzes are correctly answered.

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

If fraudulent activity is detected (use of information without authorization, use of false information, use of unauthorized devices, impersonation, total or partial plagiarism, purchase and sale of tests, practices and assignments, etc.) of any of the exercises required in the evaluation of a subject, this will result automatically in failure to pass the subject, regardless of the disciplinary process that may be followed against the offending student.

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.

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

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

The course is essentially practical.

• Bioquímica
• Termodinàmica química i estadística