Zobrazeno 1 - 10
of 128
pro vyhledávání: '"Ayappa KG"'
Publikováno v:
IndraStra Global.
Pore forming toxins (PFTs) are virulent proteins whose primary goal is to lyse target cells by unregulated pore formation. Molecular dynamics simulations can potentially provide molecular insights on the properties of the pore complex as well as the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=issn23813652::218812d528a8634414aad7452b71be7d
http://eprints.iisc.ac.in/57508/1/Jou_Che_Sci_129-7_1017_2017.pdf
http://eprints.iisc.ac.in/57508/1/Jou_Che_Sci_129-7_1017_2017.pdf
Publikováno v:
IndraStra Global.
In this article we review the current status in the modelling of both thermotropic and lyotropic Liquid crystal. We discuss various coarse-graining schemes as well as simulation techniques such as Monte Carlo (MC) and Molecular dynamics (MD) simulati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::ce7a53724e0695df65a77cab92d91ed4
https://igi.indrastra.com/items/show/200292
https://igi.indrastra.com/items/show/200292
Autor:
Choudhary, V, Ayappa, KG
Publikováno v:
IndraStra Global.
The density of states of rare gas atoms confined in carbon nanotubes is analyzed using a recently proposed model based on $\gamma$ distributions [Krishnan and Ayappa, J. Chem. Phys., 124 144503 (2006)]. The inputs into the model are the 2nd and 4th f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=issn23813652::818eb5525d98aa8814438e01382ec4f2
http://eprints.iisc.ac.in/11745/1/chemicaleng.pdf
http://eprints.iisc.ac.in/11745/1/chemicaleng.pdf
Autor:
Choudhary, Vinit, Ayappa, KG
Publikováno v:
IndraStra Global.
The density of states of rare gas atoms confined in carbon nanotubes is analyzed using a recently proposed model based on g distributions [Krishnan and Ayappa, J. Chem. Phys., 124 144503 (2006)]. The inputs into the model are the 2nd and 4th frequen
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=issn23813652::5e7c3efe3b81a2757ac16fca212efc58
https://igi.indrastra.com/items/show/199119
https://igi.indrastra.com/items/show/199119
Publikováno v:
IndraStra Global.
Molecular dynamics simulations have been carried out to examine the effect of confinement on the solubility and hydration of electrolytes in aqueous solutions. Our results show a significant effect, with the solubility of NaCl dropping by almost a fa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=issn23813652::242390852199ca9ec919a3d23143fbeb
https://igi.indrastra.com/items/show/198954
https://igi.indrastra.com/items/show/198954
Autor:
Krishnan, SH, Ayappa, KG
We propose a model for the short-time dynamics of fluids confined in slit-shaped pores. The model has been developed from the observation that the real lobe of the instantaneous normal mode density of states (INM DOS) closely follows a \gamma distrib
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::dfebeff7b417957e1f2e552eb64ed3d0
http://eprints.iisc.ernet.in/2552/
http://eprints.iisc.ernet.in/2552/
Autor:
Krishnan, SH, Ayappa, KG
Publikováno v:
IndraStra Global.
Velocity autocorrelation functions (VACF) of a fluid confined in a slit pore have been modeled using the memory equation. Models for the VACF are based on both the truncation and analytic closure approximations of the Mori's continued fraction repres
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::169c458ddf19d38f581178dc53782574
http://eprints.iisc.ac.in/2643/1/Modeling_velocity_autocorrelation.pdf
http://eprints.iisc.ac.in/2643/1/Modeling_velocity_autocorrelation.pdf
Autor:
Ayappa, KG, SenGupta, Tirthankar
Publikováno v:
IndraStra Global.
The 1D electric field and heat-conduction equations are solved for a slab where the dielectric properties vary spatially in the sample. Series solutions to the electric field are obtained for systems where the spatial variation in the dielectric prop
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=issn23813652::a93ba0bca4a2d88d872fd0fe5bb9243d
https://igi.indrastra.com/items/show/200143
https://igi.indrastra.com/items/show/200143
Publikováno v:
IndraStra Global.
Using constant-temperature molecular dynamics simulations, we have investigated the effect of an alternating uniaxial external stress on vacancy migration in a fcc argon crystal in which the atoms interact with each other through a 12-6 Lennard-Jones
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=issn23813652::a8e0da61e0d0eb9aebc51debbb3b6a7c
https://igi.indrastra.com/items/show/204781
https://igi.indrastra.com/items/show/204781
Autor:
Ayappa, KG
Publikováno v:
IndraStra Global.
Grand canonical Monte Carlo simulations have been carried out to determine the adsorption selectivity of single walled, arm-chair carbon nanotubes towards a binary Lennard-Jones gas mixture. For species with differing molecular diameters, a complete
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=issn23813652::0e348962a74f4b94817fc5df215e097b
https://igi.indrastra.com/items/show/199082
https://igi.indrastra.com/items/show/199082