scholarly journals Structure of prion β‐oligomers as determined by short‐distance crosslinking constraint‐guided discrete molecular dynamics simulations

PROTEOMICS ◽  
2021 ◽  
pp. 2000298
Author(s):  
Jason J. Serpa ◽  
Konstantin I. Popov ◽  
Evgeniy V. Petrotchenko ◽  
Nikolay V. Dokholyan ◽  
Christoph H. Borchers
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Short Distance ◽  
Discrete Molecular Dynamics ◽  
Dynamics Simulations

scholarly journals Solving protein structures using short-distance cross-linking constraints as a guide for discrete molecular dynamics simulations

2017 ◽  
Vol 3 (7) ◽  
pp. e1700479 ◽  
Author(s):  
Nicholas I. Brodie ◽  
Konstantin I. Popov ◽  
Evgeniy V. Petrotchenko ◽  
Nikolay V. Dokholyan ◽  
Christoph H. Borchers
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Short Distance ◽  
Protein Structures ◽  
Cross Linking ◽  
Discrete Molecular Dynamics ◽  
Dynamics Simulations

Finding Conformational Transition Pathways from Discrete Molecular Dynamics Simulations

2012 ◽  
Vol 8 (11) ◽  
pp. 4707-4718 ◽  
Author(s):  
Pedro Sfriso ◽  
Agusti Emperador ◽  
Laura Orellana ◽  
Adam Hospital ◽  
Josep Lluis Gelpí ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Conformational Transition ◽  
Discrete Molecular Dynamics ◽  
Transition Pathways ◽  
Dynamics Simulations

Efficient Relaxation of Protein–Protein Interfaces by Discrete Molecular Dynamics Simulations

2012 ◽  
Vol 9 (2) ◽  
pp. 1222-1229 ◽  
Author(s):  
Agusti Emperador ◽  
Albert Solernou ◽  
Pedro Sfriso ◽  
Carles Pons ◽  
Josep Lluis Gelpi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Protein Interfaces ◽  
Discrete Molecular Dynamics ◽  
Dynamics Simulations
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