Toward the microscopic simulations of cell-like environments.

Publicaciones

Stabilizing or Destabilizing: Simulations of Chymotrypsin Inhibitor 2 under Crowding Reveal Existence of a Crossover Temperature

Autores: Stepan Timr, Fabio Sterpone
Publicado en: The Journal of Physical Chemistry Letters, Edición 12/6, 2021, Página(s) 1741-1746, ISSN 1948-7185
Editor: American Chemical Society
DOI: 10.1021/acs.jpclett.0c03626

The Unfolding Journey of Superoxide Dismutase 1 Barrels under Crowding: Atomistic Simulations Shed Light on Intermediate States and Their Interactions with Crowders

Autores: Stepan Timr, David Gnutt, Simon Ebbinghaus, Fabio Sterpone
Publicado en: The Journal of Physical Chemistry Letters, Edición 11/10, 2020, Página(s) 4206-4212, ISSN 1948-7185
Editor: American Chemical Society
DOI: 10.1021/acs.jpclett.0c00699

Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer’s Disease, Parkinson’s Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis

Autores: Phuong H. Nguyen, Ayyalusamy Ramamoorthy, Bikash R. Sahoo, Jie Zheng, Peter Faller, John E. Straub, Laura Dominguez, Joan-Emma Shea, Nikolay V. Dokholyan, Alfonso De Simone, Buyong Ma, Ruth Nussinov, Saeed Najafi, Son Tung Ngo, Antoine Loquet, Mara Chiricotto, Pritam Ganguly, James McCarty, Mai Suan Li, Carol Hall, Yiming Wang, Yifat Miller, Simone Melchionna, Birgit Habenstein, Stepan Timr, Jiaxi
Publicado en: Chemical Reviews, Edición 121/4, 2021, Página(s) 2545-2647, ISSN 0009-2665
Editor: American Chemical Society
DOI: 10.1021/acs.chemrev.0c01122

Protein thermal stability

Autores: Stepan Timr, Dominique Madern, Fabio Sterpone
Publicado en: Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly, Edición 170, 2020, Página(s) 239-272, ISBN 9780128211359
Editor: Elsevier
DOI: 10.1016/bs.pmbts.2019.12.007

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