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Sarah Rauscher, Ph.D. - Publications

Affiliations: 
2017- Physics University of Toronto, Toronto, ON, Canada 
 2017- Chemistry University of Toronto, Toronto, ON, Canada 
Area:
Computational Biophysics
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36 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Lazar T, Guharoy M, Vranken W, Rauscher S, Wodak SJ, Tompa P. Distance-Based Metrics for Comparing Conformational Ensembles of Intrinsically Disordered Proteins. Biophysical Journal. 118: 2952-2965. PMID 32502383 DOI: 10.1016/J.Bpj.2020.05.015  0.459
2020 Kim JS, McGough L, Klyshko E, Ranganathan R, Rauscher S. Novel Simulation Methods for Electric Field-Induced Dynamics of Protein Crystals Biophysical Journal. 118. DOI: 10.1016/J.Bpj.2019.11.902  0.345
2020 Haas-Neill LI, Rauscher S. Molecular Dynamics Simulations of the A2A G-Protein Coupled Receptor Biophysical Journal. 118. DOI: 10.1016/J.Bpj.2019.11.2880  0.336
2020 Meneksedag-Erol D, de Araujo ED, Erdogan F, Seo H, Dhe-Paganon S, Gunning PT, Rauscher S. Cancer Activating Mutations in STAT5B: Elucidating the Impact on Protein Structure and Dynamics using Atomistic Molecular Simulations Biophysical Journal. 118: 504a. DOI: 10.1016/J.Bpj.2019.11.2779  0.37
2019 Meneksedag-Erol D, Rauscher S. Atomistic Simulation Tools to Study Protein Self-Aggregation. Methods in Molecular Biology (Clifton, N.J.). 2039: 243-262. PMID 31342431 DOI: 10.1007/978-1-4939-9678-0_17  0.526
2019 Kim JSH, Rauscher S. Hamiltonian Replica Exchange for Enhanced Sampling of the Conformational Landscape for Intrinsically Disordered Proteins Biophysical Journal. 116. DOI: 10.1016/J.Bpj.2018.11.796  0.396
2019 Haas-Neill LI, Rauscher S. Molecular Dynamics Simulations of Phosphorylated Intrinsically Disordered Proteins Biophysical Journal. 116. DOI: 10.1016/J.Bpj.2018.11.2329  0.416
2019 Meneksedag-Erol D, de Araujo ED, Erdogan F, Seo H, Dhe-Paganon S, Gunning PT, Rauscher S. Uncovering the Molecular Basis for the Clinical N642H Mutation in STAT5B Using Atomistic Molecular Simulations Biophysical Journal. 116: 13a-14a. DOI: 10.1016/J.Bpj.2018.11.115  0.311
2018 Bandyopadhyay A, Van Eps N, Eger BT, Rauscher S, Yedidi RS, Moroni T, West GM, Robinson KA, Griffin PR, Mitchell J, Ernst OP. A Novel Polar Core and Weakly Fixed C-Tail in Squid Arrestin Provide New Insight into Interaction with Rhodopsin. Journal of Molecular Biology. PMID 30120952 DOI: 10.1016/J.Jmb.2018.08.009  0.302
2018 Rauscher S, Pomès R. The Liquid-Like Structure of Elastin Biophysical Journal. 114. DOI: 10.1016/J.Bpj.2017.11.2043  0.547
2017 Rauscher S, Pomès R. The liquid structure of elastin. Elife. 6. PMID 29120326 DOI: 10.7554/Elife.26526  0.677
2017 Rauscher S, Pomès R. Author response: The liquid structure of elastin Elife. DOI: 10.7554/Elife.26526.028  0.534
2017 Huynh Q, Reichheld S, Rauscher S, Hao Wu Z, Sharpe S, Pomès R. Structure and Self-Assembly of Elastin-Like Peptides: A Joint Molecular Dynamics and NMR Study Biophysical Journal. 112: 206a-207a. DOI: 10.1016/J.Bpj.2016.11.1142  0.69
2016 Huang J, Rauscher S, Nawrocki G, Ran T, Feig M, de Groot BL, Grubmüller H, MacKerell AD. CHARMM36m: an improved force field for folded and intrinsically disordered proteins. Nature Methods. PMID 27819658 DOI: 10.1016/J.Bpj.2016.11.971  0.632
2015 Rauscher S, Gapsys V, Gajda MJ, Zweckstetter M, de Groot BL, Grubmüller H. Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field: A Comparison to Experiment. Journal of Chemical Theory and Computation. 11: 5513-24. PMID 26574339 DOI: 10.1021/Acs.Jctc.5B00736  0.602
2015 Rauscher S, Gapsys V, Groot Bd, Grubmüller H. Structural Ensembles of Intrinsically Disordered Proteins using Molecular Dynamics Simulation Biophysical Journal. 108. DOI: 10.1016/J.Bpj.2014.11.100  0.658
2014 Naqvi MA, Rauscher S, Pomès R, Rousseau D. The conformational ensemble of the β-casein phosphopeptide reveals two independent intrinsically disordered segments. Biochemistry. 53: 6402-8. PMID 25227946 DOI: 10.1021/Bi500107U  0.644
2014 Naqvi MA, Rauscher S, Pomès R, Rousseau D. The Structure of the β-Casein Phosphopeptide Consists of Two Independent Intrinsically Disordered Domains Biophysical Journal. 106: 484a. DOI: 10.1016/J.Bpj.2013.11.2732  0.65
2014 Rauscher S, Gapsys V, Volkhardt A, Blau C, Groot BLd, Grubmüller H. Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.1590  0.66
2013 Neale C, Madill C, Rauscher S, Pomès R. Accelerating Convergence in Molecular Dynamics Simulations of Solutes in Lipid Membranes by Conducting a Random Walk along the Bilayer Normal. Journal of Chemical Theory and Computation. 9: 3686-703. PMID 26584121 DOI: 10.1021/Ct301005B  0.584
2013 Neale C, Madill C, Rauscher S, Pomès R. Acurately Quantifying Correlation Times that Exceed the Timescale of Molecular Dynamics Simulations Biophysical Journal. 104: 31a. DOI: 10.1016/J.Bpj.2012.11.207  0.606
2013 Rauscher S, Grubmüller H. Structural Ensembles of Intrinsically Disordered FG-Nucleoporins Depend on Force Field Biophysical Journal. 104. DOI: 10.1016/J.Bpj.2012.11.115  0.62
2013 Gradinaru C, Mazouchi A, Rauscher S, Pomes R, Forman-Kay J. The Intrinsically Unstable SH3-DRKN Protein: Compactness, Conformations and Speed Biophysical Journal. 104: 190a-191a. DOI: 10.1016/J.Bpj.2012.11.1074  0.605
2012 Seo M, Rauscher S, Pomès R, Tieleman DP. Improving Internal Peptide Dynamics in the Coarse-Grained MARTINI Model: Toward Large-Scale Simulations of Amyloid- and Elastin-like Peptides. Journal of Chemical Theory and Computation. 8: 1774-1785. PMID 22582033 DOI: 10.1021/Ct200876V  0.652
2012 Rauscher S, Pomès R. Structural disorder and protein elasticity. Advances in Experimental Medicine and Biology. 725: 159-83. PMID 22399324 DOI: 10.1007/978-1-4614-0659-4_10  0.613
2012 Li G, Rauscher S, Baud S, Pomès R. Binding of inositol stereoisomers to model amyloidogenic peptides. The Journal of Physical Chemistry. B. 116: 1111-9. PMID 22091989 DOI: 10.1021/Jp208567N  0.637
2012 Seo M, Rauscher S, Pomès R, Tieleman DP. Deriving Transferable Parameters for the Coarse-Grained Martini Model: Application to Amyloid-Like and Elastin-Like Peptides Biophysical Journal. 102: 732a. DOI: 10.1016/J.Bpj.2011.11.3973  0.628
2012 Xue Z, Rauscher S, Pomès R. Solvent Effects on the Conformational Equilibrium of Elastin-Like and Amyloidogenic Peptides Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.3435  0.659
2012 Mazouchi A, Rauscher S, Bahram A, Poms R, Forman-Kay J, Gradinaru C. Size, Shape and Motions of the SH3 Domain of the Drosophila Adapter Protein Drk Biophysical Journal. 102: 453a. DOI: 10.1016/J.Bpj.2011.11.2486  0.365
2012 Rauscher S, Pomès R. Aggregated yet Disordered: A Molecular Simulation Study of the Self-Aggregation of Elastin Biophysical Journal. 102. DOI: 10.1016/J.Bpj.2011.11.247  0.653
2011 Nikolic A, Baud S, Rauscher S, Pomès R. Molecular mechanism of β-sheet self-organization at water-hydrophobic interfaces. Proteins. 79: 1-22. PMID 20938982 DOI: 10.1002/Prot.22854  0.662
2010 Rauscher S, Pomès R. Molecular simulations of protein disorder. Biochemistry and Cell Biology = Biochimie Et Biologie Cellulaire. 88: 269-90. PMID 20453929 DOI: 10.1139/o09-169  0.595
2010 Rauscher S, Pomès R. Simulated tempering distributed replica sampling: A practical guide to enhanced conformational sampling Journal of Physics: Conference Series. 256. DOI: 10.1088/1742-6596/256/1/012011  0.302
2010 Nikolic A, Baud S, Rauscher S, Pomès R. Molecular Basis for the Catalysis of B-Sheet Formation by Water-Nonpolar Interfaces Biophysical Journal. 98. DOI: 10.1016/J.Bpj.2009.12.1368  0.667
2009 Rauscher S, Neale C, Pomès R. Simulated Tempering Distributed Replica Sampling, Virtual Replica Exchange, and Other Generalized-Ensemble Methods for Conformational Sampling. Journal of Chemical Theory and Computation. 5: 2640-62. PMID 26631779 DOI: 10.1021/Ct900302N  0.594
2006 Rauscher S, Baud S, Miao M, Keeley FW, Pomès R. Proline and glycine control protein self-organization into elastomeric or amyloid fibrils. Structure (London, England : 1993). 14: 1667-76. PMID 17098192 DOI: 10.1016/J.Str.2006.09.008  0.66
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