Program

Day 0

Presentation

17:30 – 18:00 Salutation by University Authorities

18:00 – 20:00 Registration and Social Activities

 

 

Day 1

Molecular Docking

09:00 – 09:30 Structure-Based Drug Design in Medicinal Chemistry (Prof. Rino Ragno)

09:30 – 10:15 Introduction to Molecular Docking (Prof. Milan Mladenović)

10:15 – 10:45 Molecular Docking Assessment (Prof. Rino Ragno)

10:45 – 11:15 Application of Molecular Docking (Prof. Milan Mladenović)

11:15 – 11:45 Coffee Break 

11:45 – 12:30 Live Demonstration on Molecular Docking with Smina and Plants (Prof. Milan Mladenović)

12:30 – 13:15 The www.3d-qsar.com portal and a Live Demonstration on Molecular Docking with Py-Docking (Prof. Rino Ragno)

13:15 – 15:00 Lunch Break

15:00 – 18:00 Practical session: How to Make a Molecular Docking with www-3d-qsar.com (Milan and Prof. Rino Ragno)

 

 

Day 2

Structure-Based Three-Dimensional Quantitative Structure-Activity Relationships – SB 3-D QSAR

09:00 – 09:45 From QSAR to 3-D QSAR (Prof. Rino Ragno)

09:45 – 10:30 The www.3d-qsar.com portal and a Live Demonstration on 3-D QSAR modeling with Py-CoMFA (Prof. Rino Ragno)

10:30 – 11:15 How to Build a SB 3-D QSAR models (Prof. Milan Mladenović)

11:15 – 11:45 Coffee Break

11:45 – 12:30 The www.3d-qsar.com portal and a Live Demonstration on SB 3-D QSAR modeling with Py-CoMFA (Rino)

12:30 – 13:15 Practical session: How to Make a 3-D QSAR with www-3d-qsar.com (Prof. Milan Mladenović and Prof. Rino Ragno)

13:15 – 15:00 Lunch Break

15:00 – 18:00 Practical session: How to Make a SB 3-D QSAR with www-3d-qsar.com (Prof. Milan Mladenović and Prof. Rino Ragno)

 

 

Day 3

Comparative Binding Energy – ComBinE

09:00 – 09:45 ComBinE (Prof. Rino Ragno)

09:45 – 10:30 Application of Combine (Prof. Milan Mladenović)

10:30 – 11:15 Live Demonstration on ComBinE Modeling Through Py-ComBinE (Prof. Rino Ragno)

11:15 – 11:45 Coffee Break 

11:45 – 13:15 Practical Sessions on Py-ComBinE (Prof. Milan Mladenović and Prof. Rino Ragno)

13:15 – 15:00 Lunch Break

15:00 – 17:30 Practical Sessions (Prof. Milan Mladenović and Prof. Rino Ragno)

17:00 – 18:00 Closing words