Jacobson, an eminent research scientist working across disciplines including computational biophysics, physical chemistry, quantum mechanics, rational drug design, and protein structure prediction, ...

A new $1.5 million award from the National Institutes of Health will allow a University of Arkansas chemist to develop mathematical models to improve the reliability and efficiency of computer-aided ...

Democrat Kamala Harris raised questions about Republican Donald Trump's physical stamina to serve effectively as president as the two rivals tore through the deadlocked battleground state of Michigan ...

Computer-aided drug design using the SILCS technology identified three sites on HIF-2 that are highly similar in HIF-1 and HIF-2 and are suitable for targeting with small molecule inhibitors.

HYDERABAD, India--(BUSINESS WIRE)--Aurigene Pharmaceutical Services Limited (Aurigene), a contract research, development, and manufacturing services organization and a Dr. Reddy’s Laboratories company ...

How are we improving the way the field of drug discovery creates machine learning algorithms to predict a protein’s interactions with a small molecule? The drug development pipeline is a costly and ...

Optibrium, a leading developer of software and AI solutions for drug discovery, today announced the acquisition of BioPharmics LLC, expanding its 3D drug design and modelling offering. Bringing ...

One of the most influential science studies of all time started with a modest minicomputer, some simulated boxes of water molecules, and a grand vision for computer-aided chemistry. The year was 1982.

The artificial intelligence (AI) revolution seems to pick up pace from one week to the next, but what does it mean for the pharmaceutical sector? Since its inception, the pharmaceutical industry has ...

Structure-based approaches for drug design and virtual screening give new meaning to Louis Pasteur’s saying “Chance favors the prepared mind.” In silico methods are becoming more efficient in allowing ...