|
 | Up a level |
Raghavan, SS and Iqbal, S and Ayyadurai, N and Gunasekaran, K (2022) Insights in the structural understanding of amyloidogenicity and mutation-led conformational dynamics of amyloid beta (Aβ) through molecular dynamics simulations and principal component analysis. In: Journal of Biomolecular Structure and Dynamics, 40 (12). pp. 5577-5587.
Iqbal, S and Potharaju, R and Naveen, S and Lokanath, NK and Mohanakrishnan, AK and Gunasekaran, K (2021) Design, crystal structure determination, molecular dynamic simulation and MMGBSA calculations of novel p38-alpha MAPK inhibitors for combating Alzheimer�s disease. In: Journal of Biomolecular Structure and Dynamics .
Gunasekaran, K and Gomathi, L and Ramakrishnan, C and Chandrasekhar, J and Balaram, P (1998) Conformational interconversions in peptide beta-turns: analysis of turns in proteins and computational estimates of barriers. In: Journal of Molecular Biology, 284 (5). pp. 1505-15016.
Gunasekaran, K and Nagarajaram, HA and Ramakrishnan, C and Balaram, P (1998) Stereochemical Punctuation Marks in Protein Structures: Glycine and Proline Containing Helix Stop Signals. In: Journal of Molecular Biology, 275 (5). pp. 917-932.
Gunasekaran, K and Ramakrishnan, C and Balaram, P (1997) Beta-Hairpins in proteins revisited: lessons for de novo design. In: Protein Engineering, 10 (10). pp. 1131-1141.
