Journal of Computer Chemistry, Japan

Journal of Computer Chemistry, Japan

Published by Society of Computer Chemistry, Japan

1,122 registered articles
(updated on January 18, 2026)

Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767

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2025 Volume 24 Issue 3

Physics-Based Docking Complements AlphaFold-Multimer–Based Selection in de novo Binder Design: A HER2–Affibody Case Study Masatomo GO, Motoki INOUE, Takefumi YAMASHITA
Nonlocal Modulation of Antigen–Antibody Interactions Underlying A107R-Mediated Affinity Gain in VHH D2-L29: MD Simulations with MM-PBSA–Based Thermodynamic Analysis Rika MUNAKATA, Motoki INOUE, Takefumi YAMASHITA
Molecular Dynamics Simulation Analysis of Structural Changes and Fluctuations in Taste Receptor Protein-Amino Acid Ligand Complexes Kie ARAKI, Koji ANDO
Halogen Substituent Effects on the Relative Stability of Salicylidene Aniline Crystals of Different Stacking Types Hao WU, Ryo KOIBUCHI, Isao YOSHIKAWA, Hirohiko HOUJOU

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Most viewed articles (December 2025)

1

First-Principles Calculation Study on Solid Electrolyte Interphase (SEI) in Lithium Ion Battery

Released on J-STAGE: February 20, 2019 | Volume 18 Issue 1 Pages 18-28

Yoshitaka TATEYAMA

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First Calculation of Q-e Values of Polymer Radicals

Released on J-STAGE: May 08, 2024 | Volume 23 Issue 1 Pages A9-A14

Susumu KAWAUCHI

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Computational Chemistry Studies on CO₂ Chemical Absorption Technique: Challenge on Energy and Environmental Issue

Released on J-STAGE: August 10, 2016 | Volume 15 Issue 2 Pages A15-A29

Kei TERANISHI, Atsushi ISHIKAWA, Hiromi NAKAI

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Solvation Energy of Proton: a Consistent Calculation Schemefor Acid Dissociation Constantsand Standard Hydrogen Electrode Potentials

Released on J-STAGE: December 27, 2016 | Volume 15 Issue 5 Pages 184-191

Toru MATSUI, Akane KIYAN, Mitsuo SHOJI, Yasuteru SHIGETA

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5

Visualization of Orbitals (13) ― How the Orbital Hybridization Accounts for the Structure of Hydrocarbons: σ-bond and π-bond.

Released on J-STAGE: August 21, 2023 | Volume 22 Issue 1 Pages A8-A15

Sumio TOKITA

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