Although the literature contains numerous examples of successful virtual screening campaigns,
the field continues to evolve and deal with new challenges. In this special issue, we …

… In the present work, we focus on recent trends, developments, and challenges in 3DVS. We
… that bring new approaches and models from computational chemistry, and we discuss new …

… Moreover, many institutions lack experimental screening resources, especially in academia,
and therefore largely depend on computational efforts to identify new chemical entities for …

… these and other virtual screening methodologies more thoroughly, … Also, a brief introduction
on the new artificial intelligence … can be a remarkable trend on the future of virtual screening. …

… On the basis of our findings, we have highlighted a number of trends, put them into perspective…
of new potential CDK2/VEGFR2 type II inhibitors by fragmentation and virtual screening of …

… Here we will show the application of the classical virtual screening and the … Various receptor
modelling, refinement, and docking protocols, aiming to virtual screening and new lead are …

… and new strategies are continuously searched for in order to optimize this process. Virtual
Screening … The number of new techniques and software that can be applied in this strategy has …

… virtual screening (VS) and its relationship to the experimental procedure, HTS, is discussed,
new … A general observable trend is the increasing use of algorithmic technology in improving …

… -scale virtual screening protocols, databases and benchmarks for applying or validating
virtual screening methods, and prospective applications of virtual screening to difficult targets. …

… In this paper we describe a new, fast method for identification of inhibitors in large collection
of compounds (database) using prior knowledge. The method uses supervised machine …