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 ...
InfoWorld

How to use method references in Java

Method references are a shorthand way to write lambda expressions that call a single method. Rather than implementing a method in a functional interface, a method reference simply points to an ...
洗護用品和肥皂

Indonesia: Central Java Gender Justice binding agreement launched, covering over 6000 workers

This month marks the announcement of a new binding agreement to protect workers’ human rights and combat gender-based violence and harassment. The Central Java Agreement for Gender Justice currently ...
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 ...
C&EN

Equilibrium and Nonequilibrium Ensemble Methods for Accurate, Precise and Reproducible Absolute Binding Free Energy Calculations

You are free to share (copy and redistribute) this article in any medium or format and to adapt (remix, transform, and build upon) the material for any purpose, even commercially within the parameters ...
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

Consider binding historical new abstract methods as virtual

Area: BindingsIssues in Java Library Binding projects.Issues in Java Library Binding projects. As mentioned in History, in the past when new abstract methods were introduced, they were instead bound ...