๐ฅFREE online Workshop
๐ฉโ๐ซCombining Linux Skills and State-of-the-Art Computer-Aided Drug Designing
โฐTime: 6:00 PM - 9:00 PM IST
๐ Date: 24 September 2023
Topics :
โซ๏ธSession 1: Computer-Aided Drug Designing (CADD) (6:00 PM - 8:00 PM)
# Introduction to CADD and its importance
#Important databases in CADD
- PubMed
- PubChem
- UniProt
- KEGG
- PDB
- DrugBank
#Structural file formats (SDF, Mol2, PDB)
#Types of CADD
- Ligand-Based Drug Designing
- Structure-Based Drug Designing
#Ligand-Based Drug Designing Detail
- Pharmacophore Preparation
- Quantitative Structure-Activity Relationship (QSAR)
#Structure-Based Drug Designing detail
- Target Identification and Optimization
- Compound selection
- Preparation of inputs for Molecular Docking
- Analysis of Docking results
- Importance of Molecular Dynamics Simulation
โซ๏ธSession 2: Linux Essentials (8:00 PM - 9:00 PM)
๐งพ Certificate will be provided
โ๏ธ Registration
๐ฒChannel: @Bioinformatics
๐ฉโ๐ซCombining Linux Skills and State-of-the-Art Computer-Aided Drug Designing
โฐTime: 6:00 PM - 9:00 PM IST
๐ Date: 24 September 2023
Topics :
โซ๏ธSession 1: Computer-Aided Drug Designing (CADD) (6:00 PM - 8:00 PM)
# Introduction to CADD and its importance
#Important databases in CADD
- PubMed
- PubChem
- UniProt
- KEGG
- PDB
- DrugBank
#Structural file formats (SDF, Mol2, PDB)
#Types of CADD
- Ligand-Based Drug Designing
- Structure-Based Drug Designing
#Ligand-Based Drug Designing Detail
- Pharmacophore Preparation
- Quantitative Structure-Activity Relationship (QSAR)
#Structure-Based Drug Designing detail
- Target Identification and Optimization
- Compound selection
- Preparation of inputs for Molecular Docking
- Analysis of Docking results
- Importance of Molecular Dynamics Simulation
โซ๏ธSession 2: Linux Essentials (8:00 PM - 9:00 PM)
๐งพ Certificate will be provided
โ๏ธ Registration
๐ฒChannel: @Bioinformatics
๐9โค4๐ฅ2
๐ Deep learning in structural bioinformatics: current applications and future perspectives
๐Journal: Briefings in Bioinformatics (I.F.=6.8)
๐Publish year: 2024
๐งโ๐ปAuthors: Niranjan Kumar, Rakesh Srivastava
๐ขUniversity: Jawaharlal Nehru University - nternational Institute of Information Technology, Hyderabad, India.
๐ Study the paper
๐ฒChannel: @Bioinformatics
#review #deep_learning #structural #drug
๐Journal: Briefings in Bioinformatics (I.F.=6.8)
๐Publish year: 2024
๐งโ๐ปAuthors: Niranjan Kumar, Rakesh Srivastava
๐ขUniversity: Jawaharlal Nehru University - nternational Institute of Information Technology, Hyderabad, India.
๐ Study the paper
๐ฒChannel: @Bioinformatics
#review #deep_learning #structural #drug
๐5๐ฅ2โค1๐1