3 Day International Virtual Workshop cum Faculty Development Program
Molecular Dynamics Simulations in Bioscience Research || 6th to 8th June 2026
Quaxon Bio & IT Solutions, is going to conduct it’s 77th International virtual workshop cum Faculty Development Program on Molecular Dynamics Simulation in Bioscience Research.
Date: 6th to 8th June 2026
Time: 7-9 PM Indian Standard Time
FDP Objective
The FDP will introduce the skill of Molecular Dynamics Simulation to the participants through lecture, demonstration and one to one hands-on session. The objective of the workshop is to familiarize the participants with theoretical as well as practical concept of molecular dynamics simulation so that they can apply this technique in their study and research.
The expected outcome is that the participants should be able to conduct MD simulations using Gromacs for Protein-Ligand complex and able to analyze the output.
Eligibility:
All Bioscience/Botany/pharmacy/biotech/biochemistry/biophysics/Bioinformatics students, faculties and research scholar are eligible for this event.(No prior coding experience is required, must have basic computer skill on Windows)
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World Wide Time Schedule
India, Sri Lanka: 7.00 PM
Central European Time: 2.30 PM
Washington DC: 8.00 AM, Canada: 9:30 AM Moscow: 4.00 PM,
South Africa: 3:30 PM, Dubai: 5.00 PM, Morocco: 2.30 PM ,
Bangkok: 8.30 PM, London: 1:30 PM Kuwait: 5.00 PM
Kindly Visit https://savvytime.com/ to know the starting time in your country’s time zone
Platform: Virtual mode (Google Meet)
About the Theme
Molecular Dynamics (MD) simulation is a computational technique used in molecular modelling to study the dynamic behaviour of atoms and molecules over time. It provides valuable insights into the behaviour and properties of complex systems at the atomic level. Molecular simulations usually deployed to calculate or predict properties and quantities that may be difficult to observe experimentally. This technology is widely used in various scientific fields, such as chemistry, bioscience, materials science, and physics, to investigate molecular structures, conformational changes, thermodynamics, and kinetics of chemical reactions and other properties.
GROMACS is one of the most important and widely used molecular dynamics simulation software packages in computational bioscience because of its high performance, accuracy, and user-friendly workflow. It enables researchers to study the dynamic behavior, stability, and interactions of biomolecules such as proteins, nucleic acids, and protein–ligand complexes at the atomic level. GROMACS plays a crucial role in drug discovery, protein structure–function analysis, enzyme mechanism studies, and vaccine design by allowing realistic simulation of biological systems under physiological conditions. Its efficient algorithms, support for multiple force fields, and powerful analysis tools make it especially valuable for bioscience students, research scholars, and faculty for both learning and advanced research applications.
System Requirement
Must have Windows 10 or above with minimum 4 GB(WSL option) RAM/Ubuntu/other Linux variants. No coding knowledge required
Read more about the application of Molecular Dynamics Simulation
This method has a central importance in bioscience and pharmaceutical science and it became an indispensable tools in bioscience research. Some applications are
• Design and discovery of new drug molecules.
• Understanding the dynamics of protein folding process.
• Characterizing biomolecular interactions:
• Understanding molecular cause of disease and drug resistance in microbes
Tools to be used:
GROMACS, VMD and other open source tools
No mandatory requirement of Linux OS, but must have windows 10 or above
Detail Syllabus and schedule
Day-1
Theory Session
Introduction to Molecular Dynamics (MD) Simulation, Applications of MD in: Protein dynamics, Protein–ligand interactions, Newton’s equations of motion and integration algorithm, Force fields (AMBER, CHARMM, OPLS)
System preparation: Solvent models (SPC, TIP3P) and solvation of the system, structure cleaning and pre-processing, addition of ions.. Periodic boundary conditions, Energy minimization, equilibration and production dynamics.
Hands-on-session
Installation overview and environment setup for GROMACS, Selection of a protein–ligand complex (from PDB), Cleaning and pre-processing protein structure, Ligand preparation overview, Generating topology files, Defining simulation box Solvation and ion addition
Day-2
Hands-on-Session
Energy minimization, Equilibration simulation using NVT and NPT ensemble
Preparation of protein–ligand system for production MD Production MD simulation setup and run Monitoring simulation parameters:, Temperature, Pressure, Energy stability, Understanding trajectory files (.xtc, .trr), Visualization of MD trajectory
Day-3
Hands-on-Session
Introduction to MD trajectory analysis, Structural stability analysis:RMSD (Root Mean Square Deviation), RMSF (Root Mean Square Fluctuation), Compactness analysis: Radius of Gyration: Interaction analysis:, Hydrogen bond analysis and Protein–ligand interaction stability, Energy analysis during simulation: Visualization of conformational changes using vmd/pymol, Interpretation of results in a biological context
Common errors and troubleshooting in GROMACS
Best practices and case studies
Key Takeaway
• Complete practical based training and hands-on-session of 6 plus hours
• Designed for beginner to advance level learners
• No prior coding experience required
• Applicable for Both Linux and Windows user
• E-Certificate for all participants
• Session recording and video tutorial for further practice
Payment and Registration
Step-1: Pay the fee using the below link as per your category
Step-2: Fill-up the registration form after payment, attach the screenshot of payment
PAYMENT
For Indian participants
For B.Sc./M.Sc. students and PhD Scholar Rs.1000/-
PhD Scholar Rs.1050/-
For faculty/pdf/RA and other working professionals Rs.1100/-
Payment link for Indians
or for Alternative payment kindly contact +91-9692521875
For international participants (other than India)
For students $20/-
PhD Scholar $25/-
For faculty/Post Doctoral Fellow and other working professionals $30/-
Payment link for international participants
Registration
Must Register After the Payment, Using Below Link
About Us
Quaxon Bio & IT Solutions is a fastest growing EduTech start-up registered to Ministry of Micro, Small and Medium Enterprises, Govt. of India. We are acting as industry-academic interface by knowledge transformation and produce human resource equipped with next generation technology. We are conducting webinar, conference and workshop on with international participants across the globe for knowledge transformation. Our main objective is to provide cutting edge technical education at affordable price to everyone. This is going to be our 76th International event.
WhatsApp/ call us +91-9692521875
Write to us quaxonbiits@gmail.com
For details term and condition kindly visit webpost
WhatsApp: +919692521875
Quaxon Bio & IT Solutions, India
quaxonbiits@gmail.com
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