Mineral and Protein-Bound Water and Latching Action Control Mechanical Behavior at Protein-Mineral Interfaces in Biological Nanocomposites
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46,130 citations
"Mineral and Protein-Bound Water and..." refers methods in this paper
...Molecular dynamics software NAMD [31] is used for all simulations, and VMD [32] is used for visual analysis....
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...From the known primary sequence of GS-domain random, structures were generated, minimized, and then solvated by “SOLVATE” module of VMD....
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14,725 citations
"Mineral and Protein-Bound Water and..." refers methods in this paper
...The parameters for GS domain are obtained from standard CHARMm protein parameter file [13]....
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...Molecular dynamics is a useful technique for studying the folding/unfolding behavior of proteins [12, 13]....
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14,558 citations
"Mineral and Protein-Bound Water and..." refers methods in this paper
...Molecular dynamics software NAMD [31] is used for all simulations, and VMD [32] is used for visual analysis....
[...]
...Hardware support for NAMD at NDSU was provided by Dr. Gregory Wettstein....
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4,135 citations
"Mineral and Protein-Bound Water and..." refers methods in this paper
...Replica-exchange molecular dynamics method has been successfully used in literature to study the folding unfolding behavior of proteins and peptides [25]....
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