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CSE-874 Molecular Modeling and Drug Design
Campus
RCMS
Programs
PG
Session
Fall Semester 2016
Course Title
Molecular Modeling and Drug Design
Course Code
CSE-874
Credit Hours
3-0
Pre-Requisutes
None
Course Objectives
To understand the critical relationship among biomolecular structure, function and force field models.
To be able to utilize basic modeling techniques to explore biological phenomena at the molecular level.
To emphasize drug/receptor interactions in detail by molecular dynamics simulations and homology modeling.
Outcomes:
Students are introduced to the principles and practice of Molecular modeling and modern drug discovery.
An awareness of rational drug design, based on understanding of three-dimensional (3D) structures and physicochemical properties of drugs and receptors will be created.
Detail Content
Introduction to Molecular Modeling
Ligand Representation
Conformational Analysis
Force Fields
Types of Drug/Receptor Interaction
Homology Modeling
Docking
Classical MD Simulation
Classification (Machine Learning) Methods.
Text/Ref Books
Time Schedule
Faculty/Resource Person
Assistant Professor - Dr Ishrat Jabeen