| Ab initio fragment molecular orbital study of molecular interactions in liganded retinoid X receptor: specification of residues associated with ligand inducible information … M Ito, K Fukuzawa, T Ishikawa, Y Mochizuki, T Nakano, S Tanaka The Journal of Physical Chemistry B 112 (38), 12081-12094, 2008 | 49 | 2008 |
| Ab initio quantum-chemical study on emission spectra of bioluminescent luciferases by fragment molecular orbital method A Tagami, N Ishibashi, D Kato, N Taguchi, Y Mochizuki, H Watanabe, ... Chemical Physics Letters 472 (1), 118-123, 2009 | 42 | 2009 |
| Ab initio fragment molecular orbital study of molecular interactions between liganded retinoid X receptor and its coactivator; part II: influence of mutations in … M Ito, K Fukuzawa, Y Mochizuki, T Nakano, S Tanaka The Journal of Physical Chemistry A 112 (10), 1986-1998, 2008 | 40 | 2008 |
| Ab initio fragment molecular orbital study of molecular interactions between liganded retinoid X receptor and its coactivator: roles of helix 12 in the coactivator binding … M Ito, K Fukuzawa, Y Mochizuki, T Nakano, S Tanaka The Journal of Physical Chemistry B 111 (13), 3525-3533, 2007 | 34 | 2007 |
| Unfolding of the amyloid β-peptide central helix: mechanistic insights from molecular dynamics simulations M Ito, J Johansson, R Strömberg, L Nilsson PloS one 6 (3), e17587, 2011 | 33 | 2011 |
| Effects of ligands on unfolding of the amyloid β-peptide central helix: mechanistic insights from molecular dynamics simulations M Ito, J Johansson, R Strömberg, L Nilsson PloS one 7 (1), e30510, 2012 | 24 | 2012 |
| Implicit solvent models and stabilizing effects of mutations and ligands on the unfolding of the amyloid β-peptide central helix A Juneja, M Ito, L Nilsson Journal of Chemical Theory and Computation 9 (1), 834-846, 2012 | 20 | 2012 |
| Novel approach for identifying key residues in enzymatic reactions: proton abstraction in ketosteroid isomerase M Ito, T Brinck The Journal of Physical Chemistry B 118 (46), 13050-13058, 2014 | 16 | 2014 |
| Quantum chemical study on stability and reactivity of 1-aminocyclopropane-1-carboxylic acid amine radical cation M Ito, H Tokiwa Bulletin of the Chemical Society of Japan 80 (9), 1731-1739, 2007 | 6 | 2007 |
| Ab initio molecular orbital investigation of a precursor in ethylene biosynthesis: proton transfer in a cluster of 1-aminocyclopropane-1-carboxylic acid and water M Ito, S Re, H Tokiwa The Journal of Physical Chemistry A 108 (25), 5417-5423, 2004 | 2 | 2004 |
| Theoretical study on emission spectra of bioluminescent luciferases by fragment molecular orbital method A Tagami, N Ishibashi, D Kato, N Taguchi, Y Mochizuki, H Watanabe, ... Journal of Computer Aided Chemistry 9, 47-54, 2008 | | 2008 |
