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Quaxon Bio & IT Solutions, is going to conduct it’s 69th international virtual workshop on “Molecular Dynamics Simulation: From Theory to Practice ” scheduled to held from 24 to 26 January 2026 globally at Indian Standard Time 7.00 PM
Objective
The workshop will introduce the field 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.
World Wide Time Schedule
India, Srilanka:7.00 PM Nepal:7.15 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, Moroco: 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
Eligibility:
All Bioscience/Botany/pharmacy/biotech/biochemistry/biophysics/Bioinformatics students, faculties and research scholar are eligible for this event.(No prior coding expaerience is required, must have basic computer skill on windows)
System Requirement
Must have Windows 10 or above with minimum 4 GB RAM/Ubuntu/other Linux variants. No coding knowledge required
About the Theme
Molecular Dynamics (MD) simulation is a computational technique used in molecular modeling to study the dynamic behavior of atoms and molecules over time. It provides valuable insights into the behavior 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 thenology 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.
Read more about the application of Molecular Dynamics Simulation
- Application of MD Simulation in Bioscience
- Application of MD Simulation in nano science and Biophysics
This method has a central importance in bioscience and pharmaceutical science and it became an indispensible 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
Training Detail Schedule
| Date | 7 PM to 8 PM | 8 PM to 9 PM |
| 24/01/2026 | Introduction to Molecular Dynamics (MD) Simulation Applications of MD in: Protein dynamics Protein–ligand interactions Drug discovery and vaccine design 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 preprocessing protein structure Ligand preparation overview Generating topology files Defining simulation box Solvation and ion addition |
| 25/01/2026 | 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 | |
| 26/01/2026 | 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 (Rg) 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 | |
*The schedule of the programme may change in case of any unseen problem.
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 faculty/pdf/RA and other working professionals Rs.1100/-
For students and PhD Scholar Rs.1000/-
Payment link for Indians
or Alternative payment kindly contact +91-9692521875
For international participants(other than India)
For students/PhDScholar $20/-
For faculty/pdf and other working professionals $25/-
Payment link
(if you don’t have paypal account then call/whatsapp : +91-9692521875 for alternative payment method)
** Discount upto 30% available for UNO listed low income countries (email us before payment)
For any enquiry write to quaxonbiits@gmail.com or whastapp : +91-9692521875
Registration
Must Register After the Payment Using Below Link
About Us : Quaxon Bio & IT Solutions is a 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 69th International virtual Workshop
Click to connect or call us +91-9692521875
Write to us quaxonbiits@gmail.com
General Term and Conditions
- You need to provide your complete and genuine details in the Google registration form
- In this Online Workshop, there will be a LIVE trainer who will solve queries along with training.
- Participants should have windows system for smooth learning as the demonstration will be given on windows system only
- We may rescheduled the event in case of any unseen problem which is beyond our control, in this case we will give you detail update via email or by phone contact.
- Make sure you register and make payment under the right category to avoid cancellation of registration.
- You must need to upload your professional ID which can be your Student ID Card or Research Institute ID Card or Company ID Card.
- The certificate will be issued as per the details which you will provide in the registration form while registering before payment.
- You must provide your WhatsApp number to join in the meeting group to get timely update. The link to join WhatsApp group will be send to your WhatsApp number or registered email id. It’s your responsibility to join in time.
- The registration is NON-REFUNDABLE but TRANSFERABLE upon request from participant with proper reason.
- Quaxon Bio & IT Solutions, India reserves full right of entry of anyone into the event., If we do not wish to give this workshop to any participant then we will refund their paid amount by cancelling his/her registration from our end.