Computer Aided Drug Designing

Computer-aided drug design uses computational approaches to discover, develop, and analyse drugs and similar 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. The basic objective of these methods is to predict the nature and strength of binding of given molecule a target. Ab initio quantum chemistry methods, or density functional theory, are frequently used to deliver optimized parameters for the molecular mechanics calculations to predict the conformation of the small molecule and to model conformational changes in the biological target that may occur when the small molecule binds to it. The data also provide an estimate of the electronic properties (electrostatic potential, polarizability, etc.) of the drug candidate that will influence binding affinity.

 

  • Ligand and structure based drug design
  • Computational Chemistry
  • Enzyme as target
  • Receptor as target
  • QSAR/QSPR Quantitative structure activity/property relationships

Related Conference of Computer Aided Drug Designing

July 10-11, 2019

10th World Congress on Green Chemistry and Technology

Paris, France | HOLIDAY INN PARIS - PORTE DE CLICHY
July 30-31, 2019

5th Edition of International Conference on Polymer Science and Technology

Holiday Inn Amsterdam – Arena Towers. Amsterdam Netherlands
August 08-09, 2019

6th International Conference on Organic and Inorganic Chemistry

Amsterdam, Netherlands
August 15-16, 2019

15th International Conference on Environmental Chemistry and Engineering

Venue : Holiday Inn Rome Aurelia / Rome, Italy
September 02-03, 2019

6th International Conference on Physical and Theoretical Chemistry

| Zurich, Switzerland
October 10-11, 2019

11th World Congress on Chemistry

Dubrovnik, Croatia
October 14-15, 2019

12th Global Experts Meeting on Chemistry and Drug Design

Seoul, South Korea
October 23-24, 2019

6th International Conference on Physical and Theoretical Chemistry

Amsterdam, Netherlands
October 30-31, 2019

26th World Congress on Chemistry

London, UK
November 18-19, 2019

10th World Meet on Analytical Chemistry & Instrumentation

Bangkok, Thailand
November 18-19, 2019

8th Global Conference on Mass Spectrometry

Osaka, Japan
November 18-19, 2019

World Polymer Chemistry & Biopolymers Congress

Rome, Italy
November 28-29, 2019

10th World Congress on Mass Spectrometry & Analytical Techniques

Prague | Czech Republic
December 06-07,2019

Analytical Chemistry & Drug Development

Singapore, Asia
April 13-14, 2020

6th International Conference on Polymer Chemistry

Prague | Czech Republic
March 18-19, 2020

16th European Organic Chemistry Congress

London, UK

10th World Congress on Chromatography

April 13-14, 2020 Amsterdam | Netherlands

Computer Aided Drug Designing Conference Speakers

Recommended Sessions

Related Journals

Are you interested in