Molecular modelling

COURSE CURRICULUM

1.

Course title

MOLECULAR MODELLING

2.

Code

HM-851

3.

Study curriculum

All

4.

Organizer of the curriculum (institute, department)

Institute of chemistry, Faculty of Natural Sciences and Mathematics, Skopje

5.

Degree (BSc, MSc, PhD)

BSc

6.

Academic year/semester

IV/VIII

7.

ECTS points

4

8.

Lecturer

Full prof. PhD Ljupco Pejov

9.

Prerequisites

Mathematics II,  Structure of atoms and molecules

10.

Course objectives (competences):
Basic principles of molecular modelling, with an emphasis of the biomedicinal sciences 

11.

Course content:
Computational chemistry and computational experiments. Intra and intermolecular forces. Molecular mechanics. Molecular dynamics. Phases of molecular – dynamic simulation. Simulated heating and cooling. Monte Carlo methodology (MK). Application in biomedicinal sciencies.

12.

Teaching methods: lectures, problem solving tasks.

13.

Total available time

120

14.

Time distribution

2+1+0 per week ( lectures 30, problem solving tasks 15)

15.

Teaching methods distribution

15.1.

Teaching - lectures

30 lectures

15.2.

Practicals (laboratory, problem solving), seminars, team work

15 lectures

16.

Other activities

16.1.

Projects

15 lectures

16.2.

Independent work

30 lectures

16.3.

Homework

30 lectures

17.

Grading methods

17.1.

Tests

70 points

17.2.

Seminars/projects (written/oral presentation)

20 points

17.3.

Activity

10 points

18.

Grading scale (points/mark)

< 50points

5 (five) (F)

From 51 to 60 points

6 (six) (E)

From 61 to 70 points

7 (seven) (D)

From 71 to 80 points

8 (eight) (C)

From 81 to 90 points

9 (nine) (B)

From 91 to 100 points

10 (ten) (A)

19.

Criteria for taking the final exam

Regular attendance and completed laboratory courses

20.

Course language

Macedonian

21.

Teaching quality control

Annonimous questionnaire

22.

Literature

22.1.

Compulsory

No.

Author

Title

Publisher

Year

1.

Ljupco Pejov

Internal script

2.

Alan Hinchliffe,

Molecular Modelling for Beginners

John Wiley & Sons

2003

3.

Andrew R. Leach

Molecular Modelling: Principles and Applications

Person Education Limited

2001

22.2.

Additional

No.

Author

Title

Publisher

Year

1.

2.

3.

4.