검색결과 : 39건
| No. | Article |
|---|---|
| 1 |
Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction Baiz CR, Blasiak B, Bredenbeck J, Cho M, Choi JH, Corcelli SA, Dijkstra AG, Feng CJ, Garrett-Roe S, Ge NH, Hanson-Heine MWD, Hirst JD, Jansen TLC, Kwac K, Kubarych KJ, Londergan CH, Maekawa H, Reppert M, Saito S, Roy S, Skinner JL, Stock G, Straub JE, Thielges MC, Tominaga K, Tokmakoff A, Torii H, Wang L, Webb LJ, Zanni MT Chemical Reviews, 120(15), 7152, 2020 |
| 2 |
Mobius and Huckel Cyclacenes with Dewar and Ladenburg Defects Hanson-Heine MWD, Hirst JD Journal of Physical Chemistry A, 124(26), 5408, 2020 |
| 3 |
Unfolding Dynamics of a Photoswitchable Helical Peptide Auvray F, Hirst JD Journal of Physical Chemistry B, 124(26), 5380, 2020 |
| 4 |
Impact of the Conformational Variability of Oligopeptides on the Computational Prediction of Their CD Spectra Michaelis M, Hildebrand N, Meissner RH, Wurzler N, Li Z, Hirst JD, Micsonai A, Kardos J, Delle Piane M, Ciacchi LC Journal of Physical Chemistry B, 123(31), 6694, 2019 |
| 5 |
Transformation of the dihedral corrective map for D-amino residues using the CHARMM force field Turpin ER, Hirst JD Chemical Physics Letters, 543, 142, 2012 |
| 6 |
Calculation of Partition Functions and Free Energies of a Binary Mixture Using the Energy Partitioning Method: Application to Carbon Dioxide and Methane Do H, Hirst JD, Wheatley RJ Journal of Physical Chemistry B, 116(15), 4535, 2012 |
| 7 |
Comparison of implicit solvent models and force fields in molecular dynamics simulations of the PB1 domain Pu MC, Garrahan JP, Hirst JD Chemical Physics Letters, 515(4-6), 283, 2011 |
| 8 |
Di-8-ANEPPS Emission Spectra in Phospholipid/Cholesterol Membranes: A Theoretical Study Robinson D, Besley NA, O'Shea P, Hirst JD Journal of Physical Chemistry B, 115(14), 4160, 2011 |
| 9 |
Modeling the Infrared and Circular Dichroism Spectroscopy of a Bridged Cyclic Diamide Gaigeot MP, Besley NA, Hirst JD Journal of Physical Chemistry B, 115(18), 5526, 2011 |
| 10 |
Gibbs Ensemble Monte Carlo Simulations of Binary Mixtures of Methane, Difluoromethane, and Carbon Dioxide Do H, Wheatley RJ, Hirst JD Journal of Physical Chemistry B, 114(11), 3879, 2010 |