SiMPLISTIC: A novel pairwise potential for implicit solvent lipid simulations with single-site models
Implicit solvent, coarse-grained models with pairwise interactions can access the largest length and time scales in molecular dynamics simulations, owing to the absence of interactions with a huge number of solvent particles, the smaller number of interaction sites in the model molecules, and the la...
Main Authors: | Somajit Dey, Jayashree Saha |
---|---|
Format: | Article |
Language: | English |
Published: |
Elsevier
2021-04-01
|
Series: | JCIS Open |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2666934X21000040 |
Similar Items
-
Mesoscale Simulations of Polymer Solution Self-Assembly: Selection of Model Parameters within an Implicit Solvent Approximation
by: Juhae Park, et al.
Published: (2021-03-01) -
Modeling and computation of heterogeneous implicit solvent and its applications for biomolecules
by: Chen Duan
Published: (2014-01-01) -
Some Notes on the Thermodynamic Accuracy of Coarse-Grained Models
by: Ewa Anna Oprzeska-Zingrebe, et al.
Published: (2019-09-01) -
Improving of the accuracy and efficiency of implicit solvent models in Biomolecular Modeling
by: Aguilar Huacan, Boris Abner
Published: (2016) -
Lattice models of amphiphile and solvent mixtures
by: Brindle, David
Published: (1991)