Zobrazeno 1 - 10
of 42
pro vyhledávání: '"Jayashree Saha"'
Publikováno v:
AIP Advances, Vol 14, Iss 1, Pp 015162-015162-8 (2024)
In this study, we present a comprehensive exploration of the formation of different phases in lipid molecules using a coarse-grained implicit solvent model, where each lipid molecule is presented as a rigid, three-bead, rod-like structure. Our study
Externí odkaz:
https://doaj.org/article/f4d66c1f37d34a38a812d5a75309f922
Autor:
Somajit Dey, Jayashree Saha
Publikováno v:
JCIS Open, Vol 1, Iss , Pp 100004- (2021)
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 in
Externí odkaz:
https://doaj.org/article/6984a3c4a91246e98d79a7b46b98f832
Autor:
Tanay Paul, Jayashree Saha
Publikováno v:
Physical Review Research, Vol 1, Iss 3, p 032012 (2019)
We report a computer simulation study of the phase transitional behavior of a system of chiral Gay-Berne molecules embedded with a terminal dipole. In this Rapid Communication, coarse-grained modeling is done to study the influence of coupled chiral
Externí odkaz:
https://doaj.org/article/be38382d8c9b437b949ac82abd928c4c
Autor:
Tanay Paul, Jayashree Saha
Publikováno v:
Scientific Reports, Vol 10, Iss 1, Pp 1-11 (2020)
Scientific Reports
Scientific Reports
We report here an off-lattice NVT molecular dynamics simulation study of a system of polar chiral ellipsoidal molecules, which spontaneously exhibits Blue Phase III (BPIII), considering coarse-grained attractive-repulsive pair interaction appropriate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92d3698c41956efeb34a75c30c283f9f
http://link.springer.com/article/10.1038/s41598-020-72086-4
http://link.springer.com/article/10.1038/s41598-020-72086-4
Autor:
Balkis Barkia, Viviann Sandt, Daniela Melnik, José Luis Cortés-Sánchez, Shannon Marchal, Bjorn Baselet, Sarah Baatout, Jayashree Sahana, Daniela Grimm, Markus Wehland, Herbert Schulz, Manfred Infanger, Armin Kraus, Marcus Krüger
Publikováno v:
Biomolecules, Vol 14, Iss 10, p 1292 (2024)
The formation of tumor spheroids on the random positioning machine (RPM) is a complex and important process, as it enables the study of metastasis ex vivo. However, this process is not yet understood in detail. In this study, we compared the RPM-indu
Externí odkaz:
https://doaj.org/article/81a5c2399bd541ee96a5a717cf3eff28
Autor:
Somajit Dey, Jayashree Saha
Publikováno v:
JCIS Open, Vol 1, Iss, Pp 100004-(2021)
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 in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7c7a4149cfb999ddb1351262c999c6a2
http://arxiv.org/abs/2010.00561
http://arxiv.org/abs/2010.00561
Publikováno v:
DAE SOLID STATE PHYSICS SYMPOSIUM 2019.
The Na/K ratio is well known to generate and control neural signals. We present here results on studies of the effect of Na/K ratio on rigidity or compressibility (κ) of Langmuir monolayers of Dipalmitoyl Phosphatidylcholine (DPPC), a major constitu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::20729af860f5923886a9572907609ee1
https://doi.org/10.1063/5.0017515
https://doi.org/10.1063/5.0017515
Autor:
Jayashree Saha, Tanay Paul
Publikováno v:
Physical Review Research. 1
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b1c714155c4195982cbc7e878575b90e
https://doi.org/10.1103/physrevresearch.1.032012
https://doi.org/10.1103/physrevresearch.1.032012
Autor:
Jayashree Saha, Somajit Dey
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. Rev. E 95, 023315 (2017)]. The model incorporates aqueous environmen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::269b75b0bedf71f1582dda0a1d1cae18
Autor:
Jayashree Saha
Publikováno v:
Molecular Simulation. 42:1437-1443
A soft ellipsoid contact pair potential model for biaxial molecules is proposed considering the configuration dependent energy anisotropy explicitly alongwith their geometrical aspects. Analytic expressions of forces and torques for this coarse-grain
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b5da359fdd2b0ca4f0c9a658a64d65fb
https://doi.org/10.1080/08927022.2016.1189079
https://doi.org/10.1080/08927022.2016.1189079