Abstract
Density Functional Theory (DFT) has become a cornerstone in Computer-Aided Drug Discovery (CADD), providing accurate insights into molecular
interactions and properties. By predicting binding affinities, electronic structure, and
molecular properties, DFT aids in rational drug design. DFT facilitates the exploration
of crucial pharmacological factors, such as protein-ligand interactions and drug
metabolism. Its computational efficiency enables high-throughput virtual screening,
reducing time and costs in drug development. Continuous advancements in DFT
methodologies and computational resources enhance its applicability in CADD. DFT in
CADD is poised to accelerate the discovery of safer and more effective drugs,
revolutionizing pharmaceutical research.
Related Journals
Drug Delivery Letters
Recent Advances in Anti-Infective Drug Discovery
Applied Drug Research, Clinical Trials and Regulatory Affairs
Current Bioactive Compounds
Current Drug Delivery
Current Drug Safety
Drug Metabolism and Bioanalysis Letters
Recent Advances in Drug Delivery and Formulation
Reviews on Recent Clinical Trials
Current Drug Metabolism
Related Books
A Comprehensive Text Book on Self-emulsifying Drug Delivery Systems
Angiogenesis & Therapeutic Targets In Cancer
Anti-Angiogenesis Drug Discovery and Development
Anti-Angiogenesis Drug Discovery and Development
Anti-Angiogenesis Drug Discovery and Development
Anti-Angiogenesis Drug Discovery and Development
Anti-Angiogenesis Drug Discovery and Development
Biopolymers In Drug Delivery: Recent Advances and Challenges
Chemoinformatics: Directions Toward Combating Neglected Diseases
Current Advances in Drug Delivery Through Fast Dissolving/Disintegrating Dosage Forms