Yuji Mochizuki

22PUBLICATIONS
46CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsComputational chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Metal cluster chemistryBiomolecular modelling and design
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (22)

|May 29, 2026
Residue‑resolved dynamically averaged interaction analysis of direct factor Xa inhibitors by MD‑FMO combination calculations.

|Feb 03, 2025
Large-Scale FMO-MP2 Calculations of the Spike Protein Droplet Model.

Hideo Doi, Tatsuya Nakano, Kota Sakakura

|Dec 02, 2024
Geometry Optimization Using the Frozen Domain and Partial Dimer Approaches in the Fragment Molecular Orbital Method: Implementation, Benchmark, and Applications to Protein Ligand-Binding Sites.

Koji Okuwaki, Naoki Watanabe, Koichiro Kato

|May 25, 2024
Size-consistency and orbital-invariance issues revealed by VQE-UCCSD calculations with the FMO scheme.

Kenji Sugisaki, Tatsuya Nakano, Yuji Mochizuki

|Apr 02, 2024
Towards tailoring hydrophobic interaction with uranyl(VI) oxygen for C-H activation.

Satoru Tsushima, Jérôme Kretzschmar, Hideo Doi

|Mar 04, 2024
Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations.

Yuma Handa, Koji Okuwaki, Yusuke Kawashima

Pageof 4

Frequent Collaborators

9 joint publications

Kaori Fukuzawa

8 joint publications

Koji Okuwaki

6 joint publications

Tatsuya Nakano

6 joint publications

Shigenori Tanaka