Rosetta Ligand
For more than 15 years, RosettaLigand has provided insights into how small chemical entities interact with proteins. Our cutting-edge algorithm provides answers to such questions as “What will bind” and “How will it bind”, ...
Rosetta Structure Prediction
In MeilerLab, we have long-term experience in the usage and development of methods to tackle the structural prediction of biomolecules, their dynamics and how they interact with molecular partners. ...
Atom-Scale Simulations
Research in the Meiler lab is conducting computational simulations for atomic-level systems with scales ranging from small chemical compounds to large proteins to enable discoveries in drug development and structural biology. ...
Programming Languages
Most of our computational work is done with programs developed in C++, like Rosetta and our own library, the BCL. C++ is an object-oriented programming language which allows low-level memory manipulation. ...
Machine Learning & BCL
With the start of the new millennium and the accumulation of huge amounts of data, both science and commerce have transitioned into the 'big data era'. Nowadays, through cheap storage space, the internet and an advance ...
Rosetta Design
Advances in experimental protein structure determination methods (X-ray crystallography, NMR and EPR spectroscopy, and cryo-electron microscopy (cryo-EM)) have begun to allow for predictions of protein stability and function. ...