Computational methods for drug design and discovery: focus on China

M Zheng, X Liu, Y Xu, H Li, C Luo, H Jiang - Trends in pharmacological …, 2013 - cell.com
In the past decades, China's computational drug design and discovery research has
experienced fast development through various novel methodologies. Application of these …

[HTML][HTML] Computer-aided drug discovery

J Bajorath - F1000Research, 2015 - ncbi.nlm.nih.gov
Computational approaches are an integral part of interdisciplinary drug discovery research.
Understanding the science behind computational tools, their opportunities, and limitations is …

Computer aided drug design: A novel loom to drug discovery

SS Imam, SJ Gilani - Organic & Medicinal Chemistry International …, 2017 - ideas.repec.org
Computer-Aided Drug Design (CADD) is a growing effort to apply computational power to
the combined chemical and biological space in order to streamline drug discovery design …

Past, present, and future perspectives on computer-aided drug design methodologies

D Bassani, S Moro - Molecules, 2023 - mdpi.com
The application of computational approaches in drug discovery has been consolidated in
the last decades. These families of techniques are usually grouped under the common …

Application of computational biology and artificial intelligence in drug design

Y Zhang, M Luo, P Wu, S Wu, TY Lee, C Bai - International journal of …, 2022 - mdpi.com
Traditional drug design requires a great amount of research time and developmental
expense. Booming computational approaches, including computational biology, computer …

Computer-aided drug discovery and development

S Zhang - Drug design and discovery: methods and protocols, 2011 - Springer
Computer-aided approaches have been widely used in pharmaceutical research to improve
the efficiency of the drug discovery and development pipeline. To identify and design small …

Computational drug discovery

S Ou-Yang, J Lu, X Kong, Z Liang, C Luo… - Acta Pharmacologica …, 2012 - nature.com
Computational drug discovery is an effective strategy for accelerating and economizing drug
discovery and development process. Because of the dramatic increase in the availability of …

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

Y Tang, W Zhu, K Chen, H Jiang - Drug discovery today: technologies, 2006 - Elsevier
In the postgenomic era, computer-aided drug design (CADD) has considerably extended its
range of applications, spanning almost all stages in the drug discovery pipeline, from target …

State-of-the-art technology in modern computer-aided drug design

GA Dalkas, D Vlachakis, D Tsagkrasoulis… - Briefings in …, 2013 - academic.oup.com
The quest for small drug-like compounds that selectively inhibit the function of biological
targets has always been a major focus in the pharmaceutical industry and in academia as …

[HTML][HTML] Grand challenges of computer-aided drug design: The road ahead

JL Medina-Franco - Frontiers in Drug Discovery, 2021 - frontiersin.org
Background Computer-aided drug discovery (CADD) has become an essential part of
several projects in different settings and research environments. CADD has largely …