Yutaka Akiyama

18PUBLICATIONS
35CO-AUTHORS
Biomolecular modelling and designComputational chemistryProteins and peptidesNumerical solution of differential and integral equationsSequence analysis
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Publications (18)

|Sep 14, 2026
Probe-Atom Distributions Obtained from Mixed-Solvent Molecular Dynamics Improve the Scoring of Docking Calculations.

|Jul 28, 2026
Protocol for Membrane Permeability Prediction of Cyclic Peptides Using Descriptors Obtained from Extended Ensemble Molecular Dynamics Simulations and Chemical Structures.

|Apr 06, 2026
COFFEE-PRESC: A Fast Prescreening Method Using Compound Retrieval by Pairwise Positional Relationship of Representative Fragments.

Masayoshi Shimizu, Satoshi Yoneyama, Keisuke Yanagisawa

|Jan 13, 2025
PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Compound Transformations.

Kairi Furui, Takafumi Shimizu, Yutaka Akiyama

|May 24, 2024
QUBO Problem Formulation of Fragment-Based Protein-Ligand Flexible Docking.

Keisuke Yanagisawa, Takuya Fujie, Kazuki Takabatake

|Jul 31, 2023
Discovery of a Hidden Trypanosoma cruzi Spermidine Synthase Binding Site and Inhibitors through In Silico, In Vitro, and X-ray Crystallography.

Ryunosuke Yoshino, Nobuaki Yasuo, Yohsuke Hagiwara

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Frequent Collaborators

12 joint publications

Keisuke Yanagisawa

10 joint publications

Masahito Ohue

4 joint publications

Takuya Fujie

4 joint publications

Masatake Sugita