| 1 |
Dissociation Process of a MDM2/p53 Complex Investigated by Parallel Cascade Selection Molecular Dynamics and the Markov State Model
Tran DP, Kitao A
Journal of Physical Chemistry B, 123(11), 2469, 2019 |
| 2 |
ColDock: Concentrated Ligand Docking with All-Atom Molecular Dynamics Simulation
Takemura K, Sato C, Kitao A
Journal of Physical Chemistry B, 122(29), 7191, 2018 |
| 3 |
Vibrational Energy Transfer from Heme through Atomic Contacts in Proteins
Yamashita S, Mizuno M, Tran DP, Dokainish H, Kitao A, Mizutani Y
Journal of Physical Chemistry B, 122(22), 5877, 2018 |
| 4 |
Similarities and Differences between Thymine(6-4)Thymine/Cytosine DNA Lesion Repairs by Photolyases
Dokainish HM, Kitao A
Journal of Physical Chemistry B, 122(36), 8537, 2018 |
| 5 |
Molecular Dynamics Study of Nitrogen-Pyramidalized Bicyclic beta-Proline Oligomers: Length-Dependent Convergence to Organized Structures
Otani Y, Watanabe S, Ohwada T, Kitao A
Journal of Physical Chemistry B, 121(1), 100, 2017 |
| 6 |
Amorphous calcium silicate hydrates and their possible mechanism for recovering phosphate from wastewater
Okano K, Miyamaru S, Kitao A, Takano H, Aketo T, Toda M, Honda K, Ohtake H
Separation and Purification Technology, 144, 63, 2015 |
| 7 |
Free-energy analysis of lysozyme-triNAG binding modes with all-atom molecular dynamics simulation combined with the solution theory in the energy representation
Takemura K, Burri RR, Ishikawa T, Ishikura T, Sakuraba S, Matubayasi N, Kuwata K, Kitao A
Chemical Physics Letters, 559, 94, 2013 |
| 8 |
Water Model Tuning for Improved Reproduction of Rotational Diffusion and NMR Spectral Density
Takemura K, Kitao A
Journal of Physical Chemistry B, 116(22), 6279, 2012 |
| 9 |
Multi-Scale Free Energy Landscape calculation method by combination of coarse-grained and all-atom models
Harada R, Kitao A
Chemical Physics Letters, 503(1-3), 145, 2011 |
| 10 |
Multi-Scale Free Energy Landscape calculation method by combination of coarse-grained and all-atom models (vol 503, pg 145, 2011)
Harada R, Kitao A
Chemical Physics Letters, 516(1-3), 113, 2011 |
