Add to ORKGComputational 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, but there remain weaknesses in the methods that preclude naïve applications. Herein, current trends in computer-aided drug discovery are reviewed, and selected computational areas are discussed. Approaches are highlighted that aid in the identification and optimization of new drug candidates. Emphasis is put on the presentation and discussion of compu...
Computational chemistry has come of age in drug discovery. Indeed, most pharmaceutical development p...
Introduction: Artificial intelligence (AI) has inspired computer-aided drug discovery. The widesprea...
Two distinct approaches are possible in the area of computer-aided drug design. If the molecular str...
The process for drug discovery and development is challenging, time consuming and expensive. Compute...
The application of computational approaches in drug discovery has been consolidated in the last deca...
Traditional drug design requires a great amount of research time and developmental expense. Booming ...
Computer-aided approaches have been widely used in pharmaceutical research to improve the efficiency...
The process of discovering and developing a new medication is often seen as a lengthy and expensive ...
Bioinformatics and chemoinformatics approaches contribute to hit discovery, hit-to-lead optimization...
Computational methods pervade almost all aspects of drug discovery [1-3]. Computer-assisted tools co...
In silico methodologies have become an essential part of the modern drug discovery process. This the...
Importance of the field: The shift in focus from ligand based design approaches to target based di...
The early stages of drug discovery is a long and costly process. A way to reduce the time, resources...
Computational approaches have become an integral part of modern drug discovery and medicinal chemist...
Drug discovery utilizes chemical biology and computational drug design approaches for the efficient ...
Computational chemistry has come of age in drug discovery. Indeed, most pharmaceutical development p...
Introduction: Artificial intelligence (AI) has inspired computer-aided drug discovery. The widesprea...
Two distinct approaches are possible in the area of computer-aided drug design. If the molecular str...
The process for drug discovery and development is challenging, time consuming and expensive. Compute...
The application of computational approaches in drug discovery has been consolidated in the last deca...
Traditional drug design requires a great amount of research time and developmental expense. Booming ...
Computer-aided approaches have been widely used in pharmaceutical research to improve the efficiency...
The process of discovering and developing a new medication is often seen as a lengthy and expensive ...
Bioinformatics and chemoinformatics approaches contribute to hit discovery, hit-to-lead optimization...
Computational methods pervade almost all aspects of drug discovery [1-3]. Computer-assisted tools co...
In silico methodologies have become an essential part of the modern drug discovery process. This the...
Importance of the field: The shift in focus from ligand based design approaches to target based di...
The early stages of drug discovery is a long and costly process. A way to reduce the time, resources...
Computational approaches have become an integral part of modern drug discovery and medicinal chemist...
Drug discovery utilizes chemical biology and computational drug design approaches for the efficient ...
Computational chemistry has come of age in drug discovery. Indeed, most pharmaceutical development p...
Introduction: Artificial intelligence (AI) has inspired computer-aided drug discovery. The widesprea...
Two distinct approaches are possible in the area of computer-aided drug design. If the molecular str...