Course Information
Course Semester Plan
Course Information
| No | Module name | Computational Chemistry and Molecular Modeling |
| 1 | Courses code | P20.01020 |
| 2 | Study loads | 2 credits |
| 3 | Semester | First Semester |
| 4 | Precondition | there is no |
| 5 | Competence | Upon completion of this course, students are expected to be able to: 1. List and explain the psychochemical properties of solute and solvent that affect solubility, stability, and other bio- pharmaceutical properties of drug dosage forms in drug development 2. Present the ability to interpret and analyze data 3. Characterize and evaluate the psychochemical properties of pharmaceutical ingredients 4. Show contributions both in individual or group project |
| 6 | Elements of competency | MKK |
| 7 | Type competency | Supporting competence |
| 8 | Syllabus | 1. Molecular Docking; 2. Receptor Assembling; 3. Ligand Assembling; 4. Docking; 5. Admet; 6. Molecular Modelling; Molecular Modelling Article; 8. Midterm Examination; 9. Drug Receptor Interaction; 10. Ab Initio Methods; 11. Semi Empirical Methods; 12. Density Functional Theory; 13. Molecular Mechanics; 14. Molecular Dynamics And Montecarlo Simulations; 15. Predicting Molecular Geometry; 16. Final Examination |
| 9 | Attribute to soft skills | discipline, awareness |
| 10 | Learning methods | Lecture and computational practice |
| 11 | Learning media | LCD |
| 12 | Appraisal | Answer question individually in multiple choices and essay, presentation and discussions |
| 13 | Lecturer | Prof. Dr. Apt. Resmi Mustarichie M.Sc. and Dr. Apt. Sandra Megantara, M.Farm. |
| 14 | References | Singh, D. B. (2020). Computer-Aided Drug Design. Springer Singapore. Petitjean, M., & Camproux, A.-C. (2016). In Silico Medicinal Chemistry: Computational Methods to Support Drug Design. Edited by Nathan Brown. In ChemMedChem (Vol. 11, Issue 13). Royal Society of Chemistry. Wade, R. C., & Salo-Ahen, O. M. H. (2019). Molecular modeling in drug design. In Molecules (Vol. 24, Issue 2). MDPI AG. Sehgal, S. A., Tahir, R. A., & Waqas, M. (2021). Quick Guideline for Computational Drug Design (Revised Edition). In Quick Guideline for Computational Drug Design (Revised Edition). Bentham Science Publishers. Singh, S., Bani Baker, Q., & Singh, D. B. (2022). Molecular docking and molecular dynamics simulation. In Bioinformatics. IntechOpen. Genheden, S., Reymer, A., Saenz-Méndez, P., & Eriksson, L. A. (2017). Chapter 1. Computational Chemistry and Molecular Modelling Basics (pp. 1–38). |
Course Semester Plan