| 1 |
Effect of beta-cyclodextrin-EGCG complexion against aggregated a-synuclein through density functional theory and discrete molecular dynamics
Srinivasan E, Rajasekaran R
Chemical Physics Letters, 717, 38, 2019 |
| 2 |
Exploring the Effects of Subfreezing Temperature and Salt Concentration on Ice Growth Inhibition of Antarctic Gram-Negative Bacterium Marinomonas Primoryensis Using Coarse-Grained Simulation
Nguyen H, Van TD, Tran N, Le L
Applied Biochemistry and Biotechnology, 178(8), 1534, 2016 |
| 3 |
Molecular dynamics simulation and free energy landscape methods in probing L215H, L217R and L225M beta I-tubulin mutations causing paclitaxel resistance in cancer cells
Tripathi S, Srivastava G, Sharma A
Biochemical and Biophysical Research Communications, 476(4), 273, 2016 |
| 4 |
Flexible binding simulation by a novel and improved version of virtual-system coupled adaptive umbrella sampling
Dasgupta B, Nakamura H, Higo J
Chemical Physics Letters, 662, 327, 2016 |
| 5 |
The elastic free energy of a tandem modular protein under force
Valle-Orero J, Eckels EC, Stirnemann G, Popa I, Berkovich R, Fernandez JM
Biochemical and Biophysical Research Communications, 460(2), 434, 2015 |
| 6 |
An understanding of chemoselective hydrogenation on crotonaldehyde over Pt(111) in the free energy landscape: The microkinetics study based on first-principles calculations
Cao XM, Burch R, Hardacre C, Hu P
Catalysis Today, 165(1), 71, 2011 |
| 7 |
Multy-state protein: Determination of carbonic anhydrase free-energy landscape
Melnik BS, Marchenkov VV, Evdokimov SR, Samatova EN, Kotova NV
Biochemical and Biophysical Research Communications, 369(2), 701, 2008 |
| 8 |
A shorter peptide model from staphylococcal nuclease for the folding-unfolding equilibrium of a beta-hairpin shows that unfolded state has significant contribution from compact conformational states
Patel S, Sasidhar YU
Journal of Structural Biology, 164(1), 60, 2008 |
