Sarah Rauscher
TitleCited byYear
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL de Groot, ...
Nature methods 14 (1), 71, 2017
4662017
Proline and glycine control protein self-organization into elastomeric or amyloid fibrils
S Rauscher, S Baud, M Miao, FW Keeley, R Pomes
Structure 14 (11), 1667-1676, 2006
2732006
Structural ensembles of intrinsically disordered proteins depend strongly on force field: a comparison to experiment
S Rauscher, V Gapsys, MJ Gajda, M Zweckstetter, BL de Groot, ...
Journal of chemical theory and computation 11 (11), 5513-5524, 2015
2102015
The nature of the supramolecular association of 1, 2, 5-chalcogenadiazoles
AF Cozzolino, I Vargas-Baca, S Mansour, AH Mahmoudkhani
Journal of the American Chemical Society 127 (9), 3184-3190, 2005
1892005
Molecular simulations of protein disorder
S Rauscher, R Pomès
Biochemistry and cell biology 88 (2), 269-290, 2010
782010
Accelerating convergence in molecular dynamics simulations of solutes in lipid membranes by conducting a random walk along the bilayer normal
C Neale, C Madill, S Rauscher, R Pomes
Journal of chemical theory and computation 9 (8), 3686-3703, 2013
712013
Improving internal peptide dynamics in the coarse-grained MARTINI model: toward large-scale simulations of amyloid-and elastin-like peptides
M Seo, S Rauscher, R Pomès, DP Tieleman
Journal of chemical theory and computation 8 (5), 1774-1785, 2012
692012
Structural disorder and protein elasticity
S Rauscher, R Pomès
Fuzziness, 159-183, 2012
642012
Simulated tempering distributed replica sampling, virtual replica exchange, and other generalized-ensemble methods for conformational sampling
S Rauscher, C Neale, R Pomes
Journal of chemical theory and computation 5 (10), 2640-2662, 2009
482009
Molecular mechanism of β‐sheet self‐organization at water‐hydrophobic interfaces
A Nikolic, S Baud, S Rauscher, R Pomès
Proteins: Structure, Function, and Bioinformatics 79 (1), 1-22, 2011
452011
Antiferromagnetism and charged vortices in high- superconductors
D Knapp, C Kallin, A Ghosal, S Mansour
Physical Review B 71 (6), 064504, 2005
302005
The liquid structure of elastin
S Rauscher, R Pomès
Elife 6, e26526, 2017
262017
Binding of inositol stereoisomers to model amyloidogenic peptides
G Li, S Rauscher, S Baud, R Pomes
The Journal of Physical Chemistry B 116 (3), 1111-1119, 2011
152011
Influence of π-stacking on the resonant enhancement of the second-order nonlinear optical response of dipolar chromophores
W Zhang, AF Cozzolino, AH Mahmoudkhani, M Tulumello, S Mansour, ...
The Journal of Physical Chemistry B 109 (39), 18378-18384, 2005
92005
Structural Diversity of Lithium Sulfenamides: 7Li NMR Studies in Solution and Crystal Structures of [Li2 (η2-(CH3) 3C− NS− C6H4CH3-4) 2 (THF) 2] and [Li2 (η1-4-CH3C6H4− NS …
AH Mahmoudkhani, S Rauscher, B Grajales, I Vargas-Baca
Inorganic chemistry 42 (12), 3849-3855, 2003
82003
CHARMM36: An Improved Force Field for Folded and Intrinsically Disordered Proteins
J Huang, S Rauscher, G Nawrocki, T Ran, M Feig, BL de Groot, ...
Biophysical Journal 112 (3), 175a-176a, 2017
52017
The Conformational Ensemble of the β-Casein Phosphopeptide Reveals Two Independent Intrinsically Disordered Segments
MA Naqvi, S Rauscher, R Pomès, D Rousseau
Biochemistry 53 (40), 6402-6408, 2014
52014
Simulated tempering distributed replica sampling: A practical guide to enhanced conformational sampling
S Rauscher, R Pomès
Journal of Physics: Conference Series 256 (1), 012011, 2010
52010
Structural ensembles of intrinsically disordered proteins using molecular dynamics simulation
S Rauscher, V Gapsys, B de Groot, H Grubmüller
Biophysical Journal 108 (2), 14a, 2015
42015
Protein Non-Folding: A Molecular Simulation Study of the Structure and Self-Aggregation of Elastin
S Rauscher
University of Toronto, 2012
42012
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Articles 1–20