Baidu
map

Efficient Ensemble Refinement by Reweighting

Kofinger, J; Stelzl, LS; Reuter, K; Allande, C; Reichel, K; Hummer, G

Kofinger, J; Hummer, G (reprint author), Max Planck Inst Biophys, Dept Theoret Biophys, Max von Laue Str 3, D-60438 Frankfurt, Germany.; Hummer, G (reprint author), Goethe Univ, Inst Biophys, D-60438 Frankfurt, Germany.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019; 15 (5): 3390

Abstract

Ensemble refinement produces structural ensembles of flexible and dynamic biomolecules by integrating experimental data and molecular simulations. Her......

Full Text Link


Baidu
map
Baidu
map
Baidu
map