Computer-Aided Drug Discovery Internship
Join a virtual internship focusing on computer-aided drug discovery. Explore disease introduction, target protein analysis, ligand screening, Autodock results, molecular dynamics, and key findings. Enhance your knowledge and skills in the field. Sign up now to learn and engage in cutting-edge research.
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Presentation Transcript
PRESENTED ON VIRTUAL INTERNSHIP ON COMPUTER AIDED DRUG DISCOVERY Date: 15/05/2021 By [NAME] Change your institute (or) organization logo {Delete this text box} 1
[Disease Intro] [Target description & active site details] Target Protein Image with active site highlighted PyMol image {Delete this text box} - [citation] - [citation]
LIGANDS SELECTED Mention the list of ligands in table with Pubchem (or) zinc database ID if possible structures and No.of rotatable Bonds {Delete this text box} [Reason for choosing these ligands]
LIGANDS SCREENING LIPINSKI RULE Mention the list of ligands in table with with appropriate values {Delete this text box}
LIGANDS SCREENING ADMET PROPERTY Mention the list of ligands in table with with appropriate values {Delete this text box}
AUTODOCK RESULTS S.No Ligand name No.of H bonds Aminoac ids involved in interacti on RMSD Binding energy Inhibitio n constant Other interacti ons You can rearrange the column for your need If Standard is used Kindly bold the standard and best HIT value {Delete this text box}
AUTODOCK RESULTS INSERT THE IMAGES OF YOUR DOCKED COMPOUND INTERACTION IMAGE FROM DISCOVERY STUDIO BOTH 2D & 3D [Duplicate this slide for number of times as per your requirement] {Delete this text box}
MOLECULAR DYNAMICS RESULTS INSERT THE IMAGES OF YOUR RMSD GRAPH & GYRATE graph and explain the graph interpretation [Duplicate this slide for number of times as per your requirement] {Delete this text box}
