@article { ISI:000295831700027,
	title = {Early stages of unwinding of zwitterionic alpha-helical homopolymeric peptides},
	journal = {Chemical Physics Letters},
	volume = {514},
	number = {4-6},
	year = {2011},
	month = {OCT},
	pages = {330-335},
	publisher = {ELSEVIER SCIENCE BV},
	address = {PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS},
	abstract = {<p>Unwinding mechanisms of helices of the zwitterionic polyalanine, polyleucine, and polylysine were studied using classical molecular dynamics simulation at 300 K temperature. Interestingly the helices of polyalanine and polyleucine start to unwind from the terminals, which is further relayed to the middle of the chain with time. Polylysine helix also starts to unwind from the terminals of the alpha-helical chain but the unwinding is not relayed to the middle. The reason behind this observation is investigated whether the presence of -NH(2) groups in the side chain of polylysine is influencing the unwinding. Two competitive mechanisms, fluctuation of the terminal residues and exchange of H-bonds between residues and water trigger the process of unwinding. (C) 2011 Elsevier B. V. All rights reserved.</p>},
	issn = {0009-2614},
	doi = {10.1016/j.cplett.2011.08.050},
	author = {Pandey, Prithvi Raj and Roy, Sudip}
}
@article {43779,
	title = {Effect of shape of protrusions and roughness on the hydrophilicity of a surface},
	journal = {Chemical Physics Letters},
	volume = {658},
	year = {2017},
	month = {OCT},
	pages = {34-39},
	type = {Article},
	abstract = {We have investigated wetting of model rough surfaces made up of hydrophilic triangular and hexagonal pillars (protrusions). The surface roughnesses are altered by varying the area of the rough surface, the height of the pillars, and the surface interactions to the water. We have established a correlation between structure i.e., the shape of a pillar, which actually depends on the number of edges (due to shape), and the wetting phenomena. We have found that surface with higher number of edges repels water at lower roughness value. We explain the correlation by analyzing the variation of interactions energy components and density profiles of water on the structured surfaces. (C) 2017 Elsevier B.V. All rights reserved.},
	doi = {10.1016/j.cplett.2017.07.015},
	author = {Chowdhury, Sheelan Sengupta and Pandey, Prithvi Raj and Kumar, Rajnish and Roy, Sudip}
}
