Bioinformatics, Molecular Docking & MD Simulations Workshop in Kuala Lumpur

• 2 Rounds of Tea/Coffee with snacks
• Workshop Material- Soft copy
• Handouts- Soft copy
• Papers of Technology- Soft copy
• Certificate

DAY 1- BASICS AND ADVANCED BIOINFORMATICS
INTRODUCTION TO BIOINFORMATICS
APPLICATIONS OF BIOINFORMATICS
DATABASES
PRIMARY STRUCTURE ANALYSIS BY PROT SCALE AND TMHMM
SECONDARY STRUCTURE PREDICTION-CHAU FASMAN SERVER
TERTIARY STRUCTURE PREDICTION-SPDBV
PROTEIN-PROTEIN INTERACTIONS BY STRINGS
PROTEIN VISUALIZATION BY RASMOL
LUNCH BREAK
SEQUENCE ALIGNMENT BY BLAST
PRIMER DESIGNING  BY PRIMER BLAST
MULTIPLE SEQUENCE ALIGNMENT AND PHYLOGENETIC ANALYSIS BY CLUSTAL OMEGA
AND MEGAX
GENOME BROWSING- NCBI
GENOME BROWSING BY UCSC –CASE STUDY COV 2.
PHYRE2
1]    TEMPLATE INFORMATION
2]    DOMAIN ANALYSIS
3]    SEQUENCE PROFILE AND MUTATION PROFILE ANALYSIS
ALLOSTERIC FREE ENERGY ANALYSIS BY ALLOSIGMA SERVER.

DAY 2- MOLECULAR DOCKING
THEORY
INSTALLATION OF SOFTWARE
1] AUTODOCK/MGL TOOLS
2] AUTODOCK VINA
3] PYMOL
4] DISCOVERY STUDIO
PROTEIN PREPARATION
LIGAND PREPARATION
CONVERSION OF FILES IN PYMOL AND ADT

GRID BOX PREPARATION
CONFIGURATION FILE PREPARATION
COMMAND EXECUTION
LUNCH BREAK
ANALYSIS
MULTILIGAND DOCKING
INSTALLATION OF OBABEL
PREPARATION OF PROTEIN
PREPARATION OF LIGAND
GRID BOX
CONFIGURATION FILE PREPARATION
EXECUTION OF ITERATIVE LOOP COMMAND
ANALYSIS

SIMPLE DOCKING AND MULTI-LIGAND DOCKING BY PYRX
HEX DOCKING
1]    PROTEIN-PROTEIN
2]    PROTEIN-CONJUGATE
3]    PROTEIN-METAL BASED LIGAND
PROTEIN-PEPTIDE DOCKING BY HPEPDOCK

DAY 3- MD SIMULATION- NAMD (WINDOWS) AND GROMACS (LINUX)
THEORY
INSTALLATION OF NAMD
INSTALLATION OF VMD
INSTALLATION OF NAMD-TUTORIAL-FILES
GENERATION OF PDB AND PSF FILES BY PGN SCRIPTING
MEANING OF FILES
SOLVATION IN WATER BOX
SOLVATION IN WATER SPHERE
LUNCH BREAK
PREPARATION OF CONFIGURATION FILES
RUNNING SIMULATION
ANALYSIS
GROMACS INSTALLATION (NOTE –WE WILL PROVIDE INSTALLATION GUIDE BEFORE THE SESSION BECAUSE IT TAKES TIME)
RUNNING GROMACS
ANALYSIS
DEMO ON PROTEIN-LIGAND SIMULATION
GROMACS
DESMOND MAESTRO (DEMO)

• Thermal checking will be done at the time of entry for all days of the event.
• Participants should bring their face masks with hand sanitizers.
• Masks are mandatory and participants should wear them all the time.
• Bringing the laptop is mandatory to perform the tasks.
• While buying the ticket choose the right category of registration in which you fall. If you register under the wrong category then your registration will be invalid and NO REFUND WILL BE MADE IN THIS CASE. This is your mistake and the company is not responsible for it.
• Once registration is done it is NON-REFUNDABLE/NON TRANSFERABLE.
• Please bring your PHOTO ID of College/ Department/ Institute/ University/ Company for verification.
• Please bring the PRINT OUT of the ticket which you have got after registration. We need a HARD COPY. Without PHOTO ID and PRINT OUT of ticket entry will not be given.
• Once you register we will send you Welcome email 5 days prior to the event. This email will have all detail of files, software, etc.
• You need to follow the instructions in the welcome email and prepare your system accordingly.
• If you do not turn up for any training session on any day then NO CERTIFICATE WILL BE AWARDED TO YOU.
• Timings are to be strictly followed- If you are late for more than 15 minutes from the start then you will not be allowed to enter on that particular day.
• The certificate will be given only when you attend all sessions and of the category in which you have registered.
• BDG Lifesciences (OPC) Pvt. Ltd., India reserves the right of admission in all our programs.
  If you are removed or your registration is canceled then there will be no answer to that. We have our own reasons for such an act of ours
  If we do not wish to give this workshop to any participant then we will refund their amount.
• Read more points on Terms & Conditions page on the website www.bdglifesciences.com