C&EN

2-in-1 mass spec method speeds up drug discovery

Drug discovery requires two separate steps: checking whether a drug can bind to a harmful molecule or its receptor, and ...
Oak Ridge National Lab

Evaluation of Density-Functional Tight-Binding Methods for Simulation of Protic Molecular Ion Pairs

In this work, we benchmark the accuracy of the density-functional tight-binding (DFTB) method, namely the long-range corrected second-order (LC-DFTB2) and third-order (DFTB3) models, for predicting ...
Bleeping Computer

Phishing attack hides JavaScript using invisible Unicode trick

A new JavaScript obfuscation method utilizing invisible Unicode characters to represent binary values is being actively abused in phishing attacks targeting affiliates of an American political action ...
C&EN

Leveraging a Separation of States Method for Relative Binding Free Energy Calculations in Systems with Trapped Waters

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Non-Commercial (NC): Only non-commercial uses of the work are permitted. No ...
GitHub

Cropt - lightweight JavaScript image cropper

Originally based on Foliotek/Croppie, but rewritten as a modern ES module with a simpler API, higher quality image scaling, and numerous other improvements. The Cropt boundary defaults to 320px wide ...