Computer-aided drug discovery techniques reduce the time and the costs needed to
develop novel drugs. Their relevance becomes more and more evident with the needs due …

Computer-aided drug design (CADD) is an emerging field that has drawn a lot of interest
because of its potential to expedite and lower the cost of the drug development process …

Traditional drug design requires a great amount of research time and developmental
expense. Booming computational approaches, including computational biology, computer …

Most steps of drug discovery are now routinely supported and accelerated by computer-
aided drug design tools. Among them, structure-based approaches use the three …

In December 2019, the novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-
2), the causative agent of coronavirus disease 2019 (COVID-19) was first identified in the …

Coronavirus disease 2019 (COVID-19) has caused an unprecedented global crisis and
continues to threaten public health. The etiological agent of this devastating pandemic …

Molecular docking is a structure-based computational method that generates the binding
pose and affinity between ligands and targets. There are many powerful docking programs …

The new coronavirus SARS-COV-2, which emerged in late 2019 from Wuhan city of China
was regarded as causing agent of the COVID-19 pandemic. The primary protease which is …

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused a
substantial number of deaths around the world, making it a serious and pressing public …

Molecular property prediction is an important direction in computer-aided drug design. In this
paper, to fully explore the information from SMILE stings and graph data of molecules, we …