Showcase

CHARMM is used by many groups around the world for exciting research in biology, chemistry, physics, material science and related disciplines.

Recent research listed below highlights the diverse functionality of CHARMM:

	Discovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics Min Xu, Andrea Unzue, Jing Dong, Dimitrios Spiliotopoulos, Cristina Nevado, Amedeo Caflisch: J. Med. Chem. (2016) 59, 1340-1349
	Principal Component Analysis reveals correlation of cavities evolution and functional motions in proteins Nathan Desdouits, Michael Nilges, Arnaud Blondel: J. Mol. Graph. Model. (2015) 55, 13-24
	Dynamics of the BH3-Only Protein Binding Interface of Bcl-xL Xiaorong Liu, Alex Beugelsdijk, Jianhan Chen: Biophys. J. (2015) 109, 1049-1057
	Reproducing kernel potential energy surfaces in biomolecular simulations: Nitric oxide binding to myoglobin Maksym Solovlov, Markus Meuwly: J. Chem. Phys. (2015) 143, 105103