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CS-GAMDy (Chemical Shift driven Genetic Algorithm for Molecular Dynamics) is a program for refining protein structures using NMR chemical shifts as the only source of experimental information. The method employs biased quenched molecular dynamics, a multi-criterion genetic algorithm, several knowledge-based scoring functions, and structural information derived from NMR chemical shifts.

Please cite the following paper if you use the program: A robust algorithm for refining protein structures with NMR chemical shifts; Mark Berjanskii, David Arndt, Yongjie Liang, and David S. Wishart; J Biomol NMR. 2015 Nov;63(3):255-64

Download CS-GAMDy program here

Problems? Suggestions? Please contact Wishart group