K-Means Clustering Coarse-Graining (KMC-CG): A Next Generation Methodology for Determining Optimal Coarse-Grained Mappings of Large Biomolecules

J Wu, W Xue, GA Voth - Journal of Chemical Theory and …, 2023 - ACS Publications
Coarse-grained (CG) molecular dynamics (MD) has become a method of choice for
simulating various large scale biomolecular processes; therefore, the systematic definition of …
被引用次数：5 相关文章

K-Means Clustering Coarse-Graining (KMC-CG): A Next Generation Methodology for Determining Optimal Coarse-Grained Mappings of Large Biomolecules

J Wu, W Xue, GA Voth - Journal of chemical theory and …, 2023 - pubmed.ncbi.nlm.nih.gov
Coarse-grained (CG) molecular dynamics (MD) has become a method of choice for
simulating various large scale biomolecular processes; therefore, the systematic definition of …

K-Means Clustering Coarse-Graining (KMC-CG): A Next Generation Methodology for Determining Optimal Coarse-Grained Mappings of Large Biomolecules

J Wu, W Xue, GA Voth - Journal of Chemical Theory and Computation, 2023 - par.nsf.gov
Colloidal particles with mobile binding molecules constitute a powerful platform for probing
the physics of self-assembly. Binding molecules are free to diffuse and rearrange on the …

K-Means Clustering Coarse-Graining (KMC-CG): A Next Generation Methodology for Determining Optimal Coarse-Grained Mappings of Large Biomolecules.

J Wu, W Xue, GA Voth - Journal of Chemical Theory and …, 2023 - europepmc.org
Coarse-grained (CG) molecular dynamics (MD) has become a method of choice for
simulating various large scale biomolecular processes; therefore, the systematic definition of …