3 Day International Virtual Workshop cum Faculty Development Program
Molecular Dynamics Simulations in Bioscience Research
22-24 May 2026
Quaxon Bio & IT Solutions, is going to conduct it’s 76th
international virtual workshop cum Faculty Development
Program on Molecular Dynamics Simulation in Bioscience Research.
Date: 22 to 24 May 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)
Continue reading or visit website post
https://qbiits.org/md-simulation-workshop-fdp-may-2026/
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, 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)
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
thechnology 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
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 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
https://pages.razorpay.com/pl_NMC6iJUcHHr686/view
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
https://www.paypal.com/paypalme/Workshop334
Registration
Must Register After the Payment, Using Below Link
P.T.O
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
https://qbiits.org/md-simulation-workshop-fdp-may-2026/
WhatsApp: +919692521875
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