검색결과 : 31건
| No. | Article |
|---|---|
| 1 |
Free Energy Landscape for Alpha-Helix to Beta-Sheet Interconversion in Small Amyloid Forming Peptide under Nanoconfinement Mudedla SK, Murugan NA, Agren H Journal of Physical Chemistry B, 122(42), 9654, 2018 |
| 2 |
Cyclic Dipeptide-Based Ambidextrous Supergelators: Minimalistic Rational Design, Structure-Gelation Studies, and In Situ Hydrogelation Manchineella S, Murugan NA, Govindaraju T Biomacromolecules, 18(11), 3581, 2017 |
| 3 |
Origin of the Absorption Band of Bromophenol Blue in Acidic and Basic pH: Insight from a Combined Molecular Dynamics and TD-DFT/MM Study Chattopadhyaya M, Murugan NA, Rinkevicius Z Journal of Physical Chemistry A, 120(36), 7175, 2016 |
| 4 |
First-Principles Simulations of One- and Two-Photon Absorption Band Shapes of the Bis(BF2) Core Complex Zalesny R, Murugan NA, Tian GJ, Medved M, Agren H Journal of Physical Chemistry B, 120(9), 2323, 2016 |
| 5 |
Elucidating the Mechanism of Zn2+ Sensing by a Bipyridine Probe Based on Two-Photon Absorption Bednarska J, Zalesny R, Murugan NA, Bartkowiak W, Agren H, Odelius M Journal of Physical Chemistry B, 120(34), 9067, 2016 |
| 6 |
Toward Fully Nonempirical Simulations of Optical Band Shapes of Molecules in Solution: A Case Study of Heterocyclic Ketoimine Difluoroborates Zalesny R, Murugan NA, Gel'mukhanov F, Rinkevicius Z, Osmialowski B, Bartkowiak W, Agren H Journal of Physical Chemistry A, 119(21), 5145, 2015 |
| 7 |
One- and Two-Photon Absorption of a Spiropyran-Merocyanine System: Experimental and Theoretical Studies Matczyszyn K, Olesiak-Banska J, Nakatani K, Yu P, Murugan NA, Zalesny R, Roztoczynska A, Bednarska J, Bartkowiak W, Kongsted J, Agren H, Samoc M Journal of Physical Chemistry B, 119(4), 1515, 2015 |
| 8 |
Investigation of the Binding Profiles of AZD2184 and Thioflavin T with Amyloid-beta(1-42) Fibril by Molecular Docking and Molecular Dynamics Methods Kuang GL, Murugan NA, Tu YQ, Nordberg A, Agren H Journal of Physical Chemistry B, 119(35), 11560, 2015 |
| 9 |
Simulations of Light Absorption of Carbon Particles in Nanoaerosol Clusters Hede T, Murugan NA, Kongsted J, Leck C, Agren H Journal of Physical Chemistry A, 118(10), 1879, 2014 |
| 10 |
Self-Aggregation and Optical Absorption of Stilbazolium Merocyanine in Chloroform Silva DL, Murugan NA, Kongsted J, Agren H, Canuto S Journal of Physical Chemistry B, 118(7), 1715, 2014 |