Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Mathew C. Lee"'
Autor:
Sivagurunathan, Ulaganathan1 (AUTHOR) marisol.izquierdo@ulpgc.es, Izquierdo, Marisol1 (AUTHOR) tyiyen@gmail.com, Tseng, Yiyen1 (AUTHOR) mariajesus.zamorano@ulpgc.es, Prabhu, Philip Antony Jesu2,3 (AUTHOR) antony.philip@nofima.no, Zamorano, María Jesús1 (AUTHOR) lidia.robaina@ulpgc.es, Robaina, Lidia1 (AUTHOR) david.dominguez@ulpgc.es, Domínguez, David1,2 (AUTHOR)
Publikováno v:
Animals (2076-2615). Oct2024, Vol. 14 Issue 19, p2808. 27p.
Characterizing the Rate-Limiting Step of Trp-Cage Folding by All-Atom Molecular Dynamics Simulations
Publikováno v:
The Journal of Physical Chemistry B. 108:13855-13865
In this study, the detailed mechanisms of the rapid-folding Trp-cage mini-protein were investigated by extensive all-atom molecular dynamics simulations of both wild-type and mutant proteins using a recently developed point-charge force field within
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4a764461824439d30540e7a31ad537b6
https://doi.org/10.1021/jp0478920
https://doi.org/10.1021/jp0478920
Autor:
Mathew C. Lee, Yong Duan
Publikováno v:
Proteins: Structure, Function, and Bioinformatics. 55:620-634
Recent works have shown the ability of physics-based potentials (e.g., CHARMM and OPLS-AA) and energy minimization to differentiate the native protein structures from large ensemble of non-native structures. In this study, we extended previous work b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::56e727bec21c91528167e5f27acb30da
https://doi.org/10.1002/prot.10470
https://doi.org/10.1002/prot.10470
Publikováno v:
Journal of Molecular Biology. 327:711-717
Here, we report a 100 ns molecular dynamics simulation of the folding process of a recently designed autonomous-folding mini-protein designated as tc5b with a new AMBER force field parameter set developed based on condensed-phase quantum mechanical c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8db1f4419947b62e309988f52490fd0a
https://doi.org/10.1016/s0022-2836(03)00177-3
https://doi.org/10.1016/s0022-2836(03)00177-3
Autor:
Dattani, Vidhi1, Patel, Heli1, Ahmad, Rahnuma2, Sinha, Susmita3, Girdhar, Gaurav1, Shetty, Arvind4, Haque, Mainul5,6 runurono@gmail.com, Kumar, Santosh1, Chowdhury, Kona7
Publikováno v:
Journal of Applied Pharmaceutical Science. Sep2024, Vol. 14 Issue 9, p076-097. 22p.
Autor:
Junmei Wang, Yong Duan, Piotr Cieplak, Wei Zhang, Peter A. Kollman, Shibasish Chowdhury, James W. Caldwell, Ray Luo, Tai-Sung Lee, Guoming Xiong, Rong Yang, Chun Wu, Mathew C. Lee
Publikováno v:
Journal of computational chemistry. 24(16)
Molecular mechanics models have been applied extensively to study the dynamics of proteins and nucleic acids. Here we report the development of a third-generation point-charge all-atom force field for proteins. Following the earlier approach of Corne
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ebe9e8cbc4a816f62f5812f620ae92e
https://pubmed.ncbi.nlm.nih.gov/14531054
https://pubmed.ncbi.nlm.nih.gov/14531054
Autor:
Yong Duan, Chun Wu, Shibasish Chowdhury, Mathew C. Lee, Guoming Xiong, Wei Zhang, Rong Yang, Piotr Cieplak, Ray Luo, Taisung Lee, James Caldwell, Junmei Wang, Peter Kollman
Publikováno v:
Journal of Computational Chemistry; 2003, Vol. 24 Issue 16, p1999-2012, 14p
Publikováno v:
Nutrients; Jul2024, Vol. 16 Issue 14, p2356, 42p
Autor:
Shimizu, Hirokazu1,2 (AUTHOR) buhibuhidog@gmail.com, Enda, Ken2 (AUTHOR) isek0k126@gmail.com, Shimizu, Tomohiro1 (AUTHOR) iszhtk24@gmail.com, Ishida, Yusuke3 (AUTHOR) yuishida@abox9.so-net.ne.jp, Ishizu, Hotaka1 (AUTHOR) niwasaki@med.hokudai.ac.jp, Ise, Koki2 (AUTHOR) tanaka@med.hokudai.ac.jp, Tanaka, Shinya2 (AUTHOR), Iwasaki, Norimasa1 (AUTHOR)
Publikováno v:
Journal of Clinical Medicine. Apr2022, Vol. 11 Issue 7, p2021-N.PAG. 10p.
Publikováno v:
Molecular Simulation; Nov2010, Vol. 36 Issue 13, p1059-1066, 8p, 5 Diagrams, 2 Charts, 2 Graphs