Author

Yudai Noso

Institute of Science Tokyo

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Biology Disciplines

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Biophysics· 1

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Research Focus:drug response / drug discovery· 1 Approach:machine learning (classical)· 1 Assay:proteomics· 1

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Jianan LiiD· 1 shared Keisuke YanagisawaiD· 1 shared Masatake SugitaiD· 1 shared Takuya FujieiD· 1 shared Yutaka AkiyamaiD· 1 shared

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2026-2026 · peak 1/yr

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1 shared paperBiophysics

Jianan LiORCID

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1 paper

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BiophysicsACS OmegaPeer-reviewedJun 30, 2026

Protocol for Membrane Permeability Prediction of Cyclic Peptides using Descriptors Obtained from Extended Ensemble Molecular Dynamics Simulations and Chemical Structures

Masatake Sugita, Yudai Noso, Jianan Li…·Yutaka Akiyama

The paper develops a machine learning protocol to predict cyclic peptide membrane permeability using 3D descriptors from MD simulations and 2D chemical descriptors, achieving R = 0.77 and RMSE = 0.62 on training data.

2 citationstop 5%

proteomicsmachine learning (classical)

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