Učni načrt predmeta

Predmet:

Biomolekularne simulacije

Course:

Biomolecular Simulations

Študijski program in stopnja / Study programme and level	Študijska smer / Study field	Letnik / Academic year	Semester / Semester
Nanoznanosti in nanotehnologije, 3. stopnja		1	1
Nanosciences and Nanotechnologies, 3rd cycle		1	1

Vrsta predmeta / Course type

Izbirni

Univerzitetna koda predmeta / University course code:

NANO3-789

Predavanja Lectures	Seminar Seminar	Vaje Tutorial	Klinične vaje work	Druge oblike študija	Samost. delo Individ. work	ECTS
15	15			15	105	5

*Navedena porazdelitev ur velja, če je vpisanih vsaj 15 študentov. Drugače se obseg izvedbe kontaktnih ur sorazmerno zmanjša in prenese v samostojno delo. / This distribution of hours is valid if at least 15 students are enrolled. Otherwise the contact hours are linearly reduced and transfered to individual work.

Nosilec predmeta / Course leader:

prof. dr. Janez Mavri

Sodelavci / Lecturers:

Jeziki / Languages:

Predavanja / Lectures:

Slovenščina, angleščina / Slovenian, English

Vaje / Tutorial:

Pogoji za vključitev v delo oz. za opravljanje študijskih obveznosti:

Prerequisits:

Vsebina:

Content (Syllabus outline):

Temeljna literatura in viri / Readings:

Cilji in kompetence:

Objectives and competences:

Predvideni študijski rezultati:

Intendeded learning outcomes:

Metode poučevanja in učenja:

Learning and teaching methods:

Načini ocenjevanja:

Delež v % / Weight in %

Assesment:

Seminar

50 %

Seminar

Ustni izpit

50 %

Oral exam

Reference nosilca / Lecturer's references:

1.	PREGELJC, Domen, JUG, Urška, MAVRI, Janez, STARE, Jernej. Why does the Y326I mutant of monoamine oxidase B decompose an endogenous amphetamine at a slower rate than the wild type enzyme? Reaction step elucidated by multiscale molecular simulations. PCCP. Physical chemistry chemical physics: a journal of European chemical societies, ISSN 1463-9076, Feb. 2018, vol. 20, iss. 6, str. 4181-4188
2.	JUG, Urška, PREGELJC, Domen, MAVRI, Janez, VIANELLO, Robert, STARE, Jernej. Elementary SN2SN2 reaction revisited. Effects of solvent and alkyl chain length on kinetics of halogen exchange in haloalkanes elucidated by Empirical Valence Bond simulation. Computational and theoretical chemistry, ISSN 2210-271X, 15 Sep. 2017, vol. 1116, str. 96-101
3.	OANCA, Gabriel, STARE, Jernej, VIANELLO, Robert, MAVRI, Janez. Multiscale simulation of monoamine oxidase catalyzed decomposition of phenylethylamine analogs. European Journal of Pharmacology, ISSN 0014-2999. [Print ed.], Dec. 2017, vol. 817, str. 46-50
4.	OANCA, Gabriel, STARE, Jernej, MAVRI, Janez. How fast monoamine oxidases decompose adrenaline? Kinetics of isoenzymes A and B evaluated by empirical valence bond simulation. Proteins, ISSN 0887-3585. [Print ed.], Dec. 2017, vol. 85, iss. 12, str. 2170-2178
5.	KISOVEC, Matic, REZELJ, Saša, KNAP, Primož, CAJNKO, Miša Mojca, CASERMAN, Simon, FLAŠKER, Ajda, ŽNIDARŠIČ, Nada, REPIČ, Matej, MAVRI, Janez, RUAN, Yi, SCHEURING, Simon, PODOBNIK, Marjetka, ANDERLUH, Gregor. Engineering a pH responsive pore forming protein. Scientific reports, ISSN 2045-2322, Feb. 2017, vol. 7, str. 42231-1-42231-13