COURSE OVERVIEW
Molecular dynamics simulation (MDS) brings a new dimension to the study of static molecular structures, including those of biological macromolecules. By simulating the natural motions and interactions of particles within a system, MDS provides researchers with a more comprehensive understanding that can greatly enhance the drug discovery process. This workshop aims to equip researchers from diverse pharmaceutical fields with the knowledge and skills to embrace the transformative power of molecular dynamics simulation. Participants will explore a range of applications for MDS and receive hands-on training under the guidance of experienced mentors. Through this workshop, attendees will learn how to leverage the dynamic insights gained from molecular dynamics simulation to drive more effective and informed decision-making throughout the drug discovery lifecycle. By harnessing the capabilities of MDS, researchers will be empowered to uncover new opportunities and overcome challenges in the pursuit of innovative therapeutic solutions.
OBJECTIVES
- To learn the concept and basics of Molecular Dynamics Simulation
- To use command line interface and GROMACS software
- To analyze the results of Apo protein MDS and Ligand-protein MDS
LEARNING OUTCOME
By concluding this course, participants will be able to use command line interface and GROMACS software to MDS for Apo protein and Ligand-protein complex.
COURSE CONTENT
- Concept and Basics of Molecular Dynamics Simulation (MDS)
- Introduction to command line interface and GROMACS software
- MDS of apo protein
- Application of MDS in Pharmaceutical Field
- Apo protein MDS analysis
- Ligand-protein MDS
- Results analysis
CERTIFICATE
Certificates will be granted to participants based on full course attendance.
TARGET AUDIENCE
- Pharmacy students
- Pharmacy graduates
- Researchers in different pharmaceutical fields such as medicinal chemistry, pharmacognosy, pharmaceutics, biochemistry, or any related field, aiming to study the dynamics of a particular system.
REQUIREMENTS
Attendance of the 2 full days of training.
For inquiries and corporate deals, please send us an email on pda@ngu.edu.eg