New technologies in computer-aided drug design: Toward target identification and new chemical entity discovery

Drug Discovery Acceleration Using Digital Microfluidic Biochip Architecture and Computer-aided-design Flow

A Digital Microfluidic Biochip (DMFB) offers a promising platform for medical diagnostics, DNA sequencing, Polymerase Chain Reaction (PCR), and drug discovery and development. Conventional Drug discovery procedures require timely and costly manned experiments with a high degree of human errors with no guarantee of success. On the other hand, DMFB can be a great solution for miniaturization, int...

New Software and Approaches for Computer-Aided Drug Discovery

Computers are routinely used in the drug discovery process. Virtual screening is defined to be the selection of compounds by evaluating their desirability in a computational model. Usually the predicted property is the bioactivity of a compound in an in vitro assay. Based on the classic Fischer lock and key-model, virtual screening is either ligand-or structure-based. In three-dimensional virtu...

Computer-aided drug discovery

Computational approaches are an integral part of interdisciplinary drug discovery research. Understanding the science behind computational tools, their opportunities, and limitations is essential to make a true impact on drug discovery at different levels. If applied in a scientifically meaningful way, computational methods improve the ability to identify and evaluate potential drug molecules, ...

Medications Development: Drug Discovery, Databases, and Computer-Aided Drug Design

Computer Aided Drug Design: A Promising Approach for Drug Discovery

In the field of pharmaceutical sciences, the drug discovery is an interdisciplinary approach by which new potential drug candidates are discovered. Traditionally, new drug molecules were discovered through identifying the active principles from natural sources or by serendipitous discovery. But it was time consuming and expensive. As a result, in the last few years there has been a technologica...