Toward the microscopic simulations of cell-like environments.

Pubblicazioni

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

Autori: Stepan Timr, Fabio Sterpone
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 12/6, 2021, Pagina/e 1741-1746, ISSN 1948-7185
Editore: 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

Autori: Stepan Timr, David Gnutt, Simon Ebbinghaus, Fabio Sterpone
Pubblicato in: The Journal of Physical Chemistry Letters, Numero 11/10, 2020, Pagina/e 4206-4212, ISSN 1948-7185
Editore: 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

Autori: 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
Pubblicato in: Chemical Reviews, Numero 121/4, 2021, Pagina/e 2545-2647, ISSN 0009-2665
Editore: American Chemical Society
DOI: 10.1021/acs.chemrev.0c01122

Protein thermal stability

Autori: Stepan Timr, Dominique Madern, Fabio Sterpone
Pubblicato in: Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly, Numero 170, 2020, Pagina/e 239-272, ISBN 9780128211359
Editore: Elsevier
DOI: 10.1016/bs.pmbts.2019.12.007

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