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Flexible fitting to cryo-EM density map using ensemble molecular dynamics simulations.

, , , , and . J. Comput. Chem., 38 (16): 1447-1461 (2017)

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Efficient Flexible Fitting Refinement with Automatic Error Fixing for De Novo Structure Modeling from Cryo-EM Density Maps., , , , and . J. Chem. Inf. Model., 61 (7): 3516-3528 (2021)Flexible fitting to cryo-EM density map using ensemble molecular dynamics simulations., , , , and . J. Comput. Chem., 38 (16): 1447-1461 (2017)Analysis of lipid surface area in protein-membrane systems combining voronoi tessellation and monte carlo integration methods., , and . J. Comput. Chem., 33 (3): 286-293 (2012)Integrated prediction of one-dimensional structural features and their relationships with conformational flexibility in helical membrane proteins., , , , , and . BMC Bioinform., (2010)Midpoint cell method for hybrid (MPI+OpenMP) parallelization of molecular dynamics simulations., , and . J. Comput. Chem., 35 (14): 1064-1072 (2014)Efficient lookup table using a linear function of inverse distance squared., , and . J. Comput. Chem., 34 (28): 2412-2420 (2013)SPANA: Spatial decomposition analysis for cellular-scale molecular dynamics simulations., , , , and . J. Comput. Chem., 45 (8): 498-505 (March 2024)GENESIS 1.1: A hybrid-parallel molecular dynamics simulator with enhanced sampling algorithms on multiple computational platforms., , , , , , , and . J. Comput. Chem., 38 (25): 2193-2206 (2017)