Computational approaches streamlining drug discovery - Nature
Apr 26, 2023 · Recent advances in computational approaches and challenges in their application to streamlining drug discovery are discussed.
Role of Computer-Aided Drug Design in Drug Development
As previously mentioned, computer-aided drug design is an interdisciplinary field that involves a variety of techniques. The two review articles in this Special Issue provide us with a detailed …
Computational drug design in the artificial intelligence era: A ...
Jan 1, 2026 · This review offers researchers a unified framework for understanding the complex interplay between representation choices, generative mechanisms, and evaluation paradigms …
What Is Computational Drug Design and How Does It Work?
Jul 29, 2025 · Computational drug design utilizes computer simulations and algorithms to identify, develop, and refine new drug candidates. This modern approach to drug discovery involves …
A review of the current trends in computational approaches in drug ...
Sep 27, 2024 · Computer-aided drug design and discovery methods have been essential in developing small molecules with therapeutic properties over the last decades. Application of …
Computer-Aided Drug Design and Drug Discovery - MDPI
Mar 20, 2025 · Despite the rapid evolution of CADD and its integration into modern drug discovery, several key limitations and challenges remain unaddressed. These gaps highlight …
Mar 19, 2024 · Take-home message: Drug discovery is much more than identification of an active compound. Take-home message: Computational modeling can be valuable in all stages of …
Computational Methods for Rational Drug Design
Dec 2, 2024 · Comprehensive resource covering computational tools and techniques for the development of cost-effective drugs to combat diseases, with specific disease examples. …
Item - Computational Approaches in Drug Design - Carnegie …
Aug 21, 2024 · Due to advances in computing, expansion of virtual libraries of small molecule compounds, and the growing availability of 3D structural data of biological targets, …
Computational Drug Design: New Frontiers in Medicine
Apr 29, 2025 · Computational drug design is revolutionizing medicine by using algorithms and simulations to identify promising drug candidates efficiently. This approach reduces costs and …