| 1 |
Accurate Prediction of Protein NMR Spin Relaxation by Means of Polarizable Force Fields. Application to Strongly Anisotropic Rotational Diffusion
Marcellini M, Nguyen MH, Martin M, Hologne M, Walker O
Journal of Physical Chemistry B, 124(25), 5103, 2020 |
| 2 |
Computing the Rotational Diffusion of Biomolecules via Molecular Dynamics Simulation and Quaternion Orientations
Chen PC, Hologne M, Walker O
Journal of Physical Chemistry B, 121(8), 1812, 2017 |
| 3 |
Funnel-Metadynamics and Solution NMR to Estimate Protein-Ligand Affinities
Troussicot L, Guilliere F, Limongelli V, Walker O, Lancelin JM
Journal of the American Chemical Society, 137(3), 1273, 2015 |
| 4 |
Solvent dependence of rotational anisotropy and molecular geometry as probed by NMR cross-relaxation rates
Walker O, Mutzenhardt P, Joly JP, Canet D
Chemical Physics Letters, 357(1-2), 103, 2002 |
| 5 |
Determination of carbon-13 chemical shielding tensor in the liquid state by combining NMR relaxation experiments and quantum chemical calculations
Walker O, Mutzenhardt P, Tekely P, Canet D
Journal of the American Chemical Society, 124(5), 865, 2002 |
