Ryosuke Saito

Proposal of Potent Inhibitors for a Bacterial Cell Division Protein FtsZ: Molecular Simulations Based on Molecular Docking and ab Initio Molecular Orbital Calculations

N. Kurita, Y. Blume, P. Karpov, 2020, Antibiotics.

Specific interactions between the alkaline protease of P. aeruginosa and its natural peptide inhibitor: ab initio molecular simulations

I. Sylte, N. Kurita, L. Evenseth, 2021, Journal of Molecular Modeling.

Protonation states of central amino acids in a zinc metalloprotease complexed with inhibitor: Molecular mechanics optimizations and ab initio molecular orbital calculations.

I. Sylte, N. Kurita, S. Sugiyama, 2020, Biophysical chemistry.

Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations

N. Kurita, Shohei Yamamoto, Divya Shaji, 2021, Biophysical Chemistry.

Structural change of retinoic-acid receptor-related orphan receptor induced by binding of inverse-agonist: Molecular dynamics and ab initio molecular orbital simulations

Kentaro Kawai, N. Kurita, M. Takimoto-Kamimura, 2020, Computational and structural biotechnology journal.

Proposal of novel inhibitors for vitamin-D receptor: Molecular docking, molecular mechanics and ab initio molecular orbital simulations.

N. Kurita, M. Takimoto-Kamimura, A. Kittaka, 2021, Biophysical chemistry.

Water molecule-mediated selective inhibition of bacterial zinc metalloproteinases by non-hydroxamate compounds: Ab initio molecular simulations.

N. Kurita, M. Takimoto-Kamimura, Kyohei Imai, 2022, Journal of molecular graphics & modelling.

Proposal of selective inhibitor for bacterial zinc metalloprotease: Molecular mechanics and ab initio molecular orbital calculations.

I. Sylte, N. Kurita, S. Sugiyama, 2021, Journal of molecular graphics & modelling.