Collective Variable Approaches for Single Molecule Flexible Fitting and Enhanced Sampling
نویسندگان
چکیده
and Enhanced Sampling Harish Vashisth,† Georgios Skiniotis,‡ and Charles Lee Brooks, III* †Department of Chemical Engineering, University of New Hampshire, Durham, New Hampshire 03824, United States ‡Life Sciences Institute, Department of Biological Chemistry, and Biophysics Program, and Department of Chemistry and Biophysics Program, University of Michigan, Ann Arbor, Michigan 48109, United States
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