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of 224
pro vyhledávání: '"Stirnemann, Guillaume"'
Autor:
David, Rolf, de la Puente, Miguel, Gomez, Axel, Anton, Olaia, Stirnemann, Guillaume, Laage, Damien
The emergence of artificial intelligence has profoundly impacted computational chemistry, particularly through machine-learned potentials (MLPs), which offer a balance of accuracy and efficiency in calculating atomic energies and forces to be used in
Externí odkaz:
http://arxiv.org/abs/2407.07751
When applied to binary solutions, thermal gradients lead to the generation of concentration-gradients and thus to inhomogeneous systems. While being known for more than 150 years, the molecular origins for this phenomenon are still debated, and there
Externí odkaz:
http://arxiv.org/abs/2312.12912
Autor:
Bolik-Coulon, Nicolas, Languin-Cattoën, Olivier, Carnevale, Diego, Zachrdla, Milan, Laage, Damien, Sterpone, Fabio, Stirnemann, Guillaume, Ferrage, Fabien
Nuclear magnetic relaxation is widely used to probe protein dynamics. For decades, most analyses of relaxation in proteins have relied successfully on the model-free approach, forgoing mechanistic descriptions of motions. Model-free types of correlat
Externí odkaz:
http://arxiv.org/abs/2204.05813
Autor:
Dabin, Aimeric, Stirnemann, Guillaume
Publikováno v:
In Biophysical Chemistry April 2024 307
Publikováno v:
In Biophysical Journal May 2023
Publikováno v:
In Journal of Molecular Liquids 1 October 2022 363
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2018 Nov 01. 115(45), 11525-11530.
Externí odkaz:
https://www.jstor.org/stable/26563176
Longstanding mechanistic questions about the role of protecting osmolyte trimethylamine N- oxide (TMAO) which favors protein folding and the denaturing osmolyte urea are addressed by studying their effects on the folding of uncharged polymer chains.
Externí odkaz:
http://arxiv.org/abs/1306.4642
Akademický článek
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Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2018 May . 115(22), E4953-E4954.
Externí odkaz:
https://www.jstor.org/stable/26509937