Cecilia Clementi

Topological and energetic factors: what determines the structural details of the transition state ensemble and “en-route” intermediates for protein folding? an investigation for small globular proteins

Cecilia Clementi, Hugh Nymeyer, José N. Onuchic · Journal of Molecular Biology · 2000 · 1.3K citations

Life Sciences, Biochemistry, Biophysics +17

Machine Learning of Coarse-Grained Molecular Dynamics Force Fields

Jiang Wang, Simon Olsson, Christoph Wehmeyer et al. · ACS Central Science · 2019 · 525 citations · Full text

Natural Sciences, Chemistry, Physics +17

AWSEM-MD: Protein Structure Prediction Using Coarse-Grained Physical Potentials and Bioinformatically Based Local Structure Biasing

Aram Davtyan, Nicholas P. Schafer, Weihua Zheng et al. · The Journal of Physical Chemistry B · 2012 · 357 citations

Life Sciences, Bioinformatics, Biophysics +14

Low-dimensional, free-energy landscapes of protein-folding reactions by nonlinear dimensionality reduction

Payel Das, Mark Moll, Hernán Stamati et al. · Proceedings of the National Academy of Sciences · 2006 · 343 citations · Full text

Life Sciences, Biochemistry, Biophysics +17

Determination of reaction coordinates via locally scaled diffusion map

Mary A. Rohrdanz, Wenwei Zheng, Mauro Maggioni et al. · The Journal of Chemical Physics · 2011 · 303 citations

Natural Sciences, Biophysics, Chemistry +17