Syllabus for CH332 Approaches to Drug Design and Discovery

Instructors: Prof. Woods (rob.woods@nuigalway.ie)

Dr. Aldabbagh (fawaz.aldabbagh@nuigalway.ie)
Prof. Tasdemir (deniz.tasdemir@nuigalway.ie)

Demonstrators: Madeleine Mallon: (m.mallon1@nuigalway.ie)

Darya Firsova: (dashafirsova63@gmail.com)

Practical Tutorials and Lecture notes: http://glycam.ccrc.uga.edu/MolecularModeling2013

Lectures are in the Dillon @ 9.00 am, starting Tuesday, 3rd September
Labs are in the Software Engineering Suite @ 2.00 pm, starting Monday, 9th September

Day Lecture Topic Lecturer

Tue Sept 3 1 Course Introduction, Biomolecular Modeling RW
Thur 5 2 Molecular Mechanics Force Fields RW
Mon 9 Lab 1: Approaches to Drug Design and Discovery
Tue 10 3 Energy Minimization RW
Thur 12 4 Conformational Sampling RW
Mon 16 Lab 2: Scaffold Based Drug Design
Tue 17 5 Solvation Models RW
Thur 19 6 Molecular Dynamics (MD) Simulation RW
Mon 23 Lab 3: Peptide Structure, Energy Minimization and MD
Tue 24 7 Energies from MD Simulations RW
Thur 26 8 Docking RW
Mon 30 Lab 4: Docking
Tue Oct 1 9 Conformational Entropy and Boltzmann Distributions RW
Thur 3 10 How to Read a Scientific Paper RW
Mon 7 Lab 5: Introduction to VMD
Tue 8 11 Heterocyclic Drugs FA
Thur 10 12 Heterocyclic Drugs FA
Mon 14
Tue 15 13 Heterocyclic Drugs FA
Thur 17 14 Heterocyclic Drugs FA
Mon 21
Tue 22 15 Heterocyclic Drugs FA
Thur 24 16 Heterocyclic Drugs FA
Mon 28
Tue 29 17 Natural Product Discovery DT
Thur 31 18 Natural Product Discovery DT
Mon Nov 4
Tue 5 19 Natural Product Discovery DT
Thur 7 20 Natural Product Discovery DT
Mon 11
Tue 12 21 Natural Product Discovery DT
Thur 14 22 Natural Product Discovery DT
Mon 18
Tue 19 21 Natural Product Discovery DT
Thur 22 22 Natural Product Discovery DT