Assessing Atomistic and Coarse-Grained Force Fields for Protein−Lipid Interactions: the Formidable Challenge of an Ionizable Side Chain in a Membrane

2008 ◽  
Vol 112 (32) ◽  
pp. 9588-9602 ◽  
Author(s):  
Igor Vorobyov ◽  
Libo Li ◽  
Toby W. Allen
Keyword(s):  
Force Fields ◽  
Coarse Grained ◽  
Side Chain ◽  
Lipid Interactions ◽  
Formidable Challenge

Transferability of coarse-grained force fields: The polymer case

2008 ◽  
Vol 128 (6) ◽  
pp. 064904 ◽  
Author(s):  
Paola Carbone ◽  
Hossein Ali Karimi Varzaneh ◽  
Xiaoyu Chen ◽  
Florian Müller-Plathe
Keyword(s):  
Force Fields ◽  
Coarse Grained

scholarly journals High-Resolution, Solvent-Free Coarse-Grained Model for Protein-Lipid Interactions

2011 ◽  
Vol 100 (3) ◽  
pp. 640a
Author(s):  
Tristan Bereau ◽  
Zun-Jing Wang ◽  
Markus Deserno
Keyword(s):  
High Resolution ◽  
Solvent Free ◽  
Coarse Grained ◽  
Lipid Interactions ◽  
Coarse Grained Model

scholarly journals A new protein nucleic-acid coarse-grained force field based on the UNRES and NARES-2P force fields

2018 ◽  
Vol 39 (28) ◽  
pp. 2360-2370 ◽  
Author(s):  
Adam K. Sieradzan ◽  
Artur Giełdoń ◽  
Yanping Yin ◽  
Yi He ◽  
Harold A. Scheraga ◽  
...  
Keyword(s):  
Nucleic Acid ◽  
Force Field ◽  
Force Fields ◽  
Coarse Grained ◽  
Protein Nucleic Acid ◽  
New Protein

How accurately do force fields represent protein side chain ensembles?

2018 ◽  
Vol 86 (9) ◽  
pp. 935-944 ◽  
Author(s):  
Dušan Petrović ◽  
Xue Wang ◽  
Birgit Strodel
Keyword(s):  
Force Fields ◽  
Side Chain

Utilizing Machine Learning for Efficient Parameterization of Coarse Grained Molecular Force Fields

2019 ◽  
Vol 59 (10) ◽  
pp. 4278-4288 ◽  
Author(s):  
James L. McDonagh ◽  
Ardita Shkurti ◽  
David J. Bray ◽  
Richard L. Anderson ◽  
Edward O. Pyzer-Knapp
Keyword(s):  
Machine Learning ◽  
Force Fields ◽  
Coarse Grained ◽  
Molecular Force
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