11 citations · 47 across the 9 of their papers we have counts for
10 papers
SiMPLISTIC: A Novel Pairwise Potential for Implicit Solvent Lipid Simulations with Single-site Models
Somajit Dey, Jayashree Saha
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 interact…
Raft-like domain formation in model lipid-cholesterol aggregation
Tanay Paul, Jayashree Saha
To understand mechanism of cell-membrane compartmentalization, we studied coarse-grained model systems consisting of lipid and cholesterol molecules. Cholesterol plays crucial role…
On the origin and structure of liquid crystalline Blue Phase III
Tanay Paul, Jayashree Saha
The origin and structure of self assembled chiral liquid crystalline Blue Phase III (BPIII) have remained an enigma despite efforts spreading over decades. We report here an off-la…
Minimal Coarse-Grained Modelling Towards Implicit-Solvent Simulation of Generic Bolaamphiphiles
Somajit Dey, Jayashree Saha
A simple, dual-site model of bolaamphiphiles (bolaforms or bipolar amphiphiles) is developed based on an earlier single-site model of (monopolar) amphiphiles [S. Dey, J. Saha, Phys…
Simple, self-assembling, single-site model amphiphile for water-free simulation of lyotropic phases
Somajit Dey, Jayashree Saha
Computationally, low-resolution coarse-grained models provide the most viable means for simulating the large length and time scales associated with mesoscopic phenomena. Moreover,…
Effect of dipolar-angle on phospholipid assembly
Tanay Paul, Jayashree Saha
We report the effect of lipid head-group dipole orientation on phase behaviour of phospholipid assembly. The work explains molecular-scale mechanism of ion-lipid, anesthetic-lipid…