Computer-Aided Drug Design Allied Academies Conferences

Computer-Aided Drug Design

Computer-aided drug design (CADD) systems are utilized for the quick evaluation of Chemical libraries to guide and accelerate the beginning time advancement of new dynamic mixes. CADD involves countless computational procedures like virtual screening, virtual library configuration, lead enhancement, all over again structure, etc. Computer-aided drug design utilizes computational ways to deal with find, create, and dissect drugs and comparable biologically active molecules. The ligand-based computer-aided drug discovery (LB-CADD) approach involves the analysis of ligands known to interact with a target of interest. These methods use a set of reference structures collected from compounds known to interact with the target of interest and analyse their 2D or 3D structures. CADD provides information about the chemistry of the chemical entities which is basically inaccessible through laboratory experiments, reducing cost and labour. Certainly, CADD will improve the quality of research soon and facilitate the development of numerous drugs.

Sub Tracks

· Site Identification by Ligand Competitive Saturation (SILCS)

· Database Preparation

· Docking

· Single-step Free Energy Perturbation

· QSAR/QSPR

· Predictive toxicology