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12 09 2019
< 1 minute
A Ligand-Based Approach to the Discovery of Lead-Like Potassium Channel KV1.3 Inhibitors
Voltage-gated ion channels are key molecular targets for autoimmune diseases such as multiple...
12 09 2019
< 1 minute
Machine learning for the prediction of molecular dipole moments obtained by density functional theory
Machine learning (ML) algorithms were explored for the fast estimation of molecular dipole moments...
12 09 2019
< 1 minute
In Silico HCT116 Human Colon Cancer Cell-Based Models En Route to the Discovery of Lead-Like Anticancer Drugs
To discover new inhibitors against the human colon carcinoma HCT116 cell line, two quantitative...
12 09 2019
< 1 minute
A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Staphylococcus aureus Infection Therapy
The risk of methicillin-resistant Staphylococcus aureus (MRSA) infection is increasing in both the...