Masatake Sugita

Meguro, Japan

Last Updated: 09/26/2026

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Found 17 publications

Backbone Steric Constraints Underlie High Passive Membrane Permeability of N-Alkyl Peptides.

Backbone Steric Constraints Underlie High Passive Membrane Permeability of N-Alkyl Peptides.

Journal: Angewandte Chemie (International ed. in English)

Published: March 07, 2026

CycPeptMPDB: A Comprehensive Database of Membrane Permeability of Cyclic Peptides.

CycPeptMPDB: A Comprehensive Database of Membrane Permeability of Cyclic Peptides.

Journal: Journal of chemical information and modeling

Published: March 17, 2023

Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations.

Lipid Composition Is Critical for Accurate Membrane Permeability Prediction of Cyclic Peptides by Molecular Dynamics Simulations.

Journal: Journal of chemical information and modeling

Published: September 02, 2022

Realization of the structural fluctuation of biomolecules in solution: Generalized Langevin mode analysis.

Realization of the structural fluctuation of biomolecules in solution: Generalized Langevin mode analysis.

Journal: Journal of computational chemistry

Published: June 11, 2022

Amide-to-ester substitution as a stable alternative to N-methylation for increasing membrane permeability in cyclic peptides.

Amide-to-ester substitution as a stable alternative to N-methylation for increasing membrane permeability in cyclic peptides.

Journal: Nature communications

Published: February 09, 2022

Large-Scale Membrane Permeability Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling Molecular Dynamics Simulations.

Large-Scale Membrane Permeability Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling Molecular Dynamics Simulations.

Journal: Journal of chemical information and modeling

Published: July 08, 2021

Computational Screening of a Functional Cyclodextrin Derivative for Suppressing a Side Effect of Doxorubicin.

Computational Screening of a Functional Cyclodextrin Derivative for Suppressing a Side Effect of Doxorubicin.

Journal: The journal of physical chemistry. B

Published: March 01, 2021

Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory.

Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory.

Journal: Molecules (Basel, Switzerland)

Published: November 08, 2020

Differential mode of cholesterol inclusion with 2-hydroxypropyl-cyclodextrins increases safety margin in treatment of Niemann-Pick disease type C.

Differential mode of cholesterol inclusion with 2-hydroxypropyl-cyclodextrins increases safety margin in treatment of Niemann-Pick disease type C.

Journal: British journal of pharmacology

Published: June 29, 2020

New Protocol for Predicting the Ligand-Binding Site and Mode Based on the 3D-RISM/KH Theory.

New Protocol for Predicting the Ligand-Binding Site and Mode Based on the 3D-RISM/KH Theory.

Journal: Journal of chemical theory and computation

Published: March 17, 2020

Predicting the Binding Mode of 2-Hydroxypropyl-β-cyclodextrin to Cholesterol by Means of the MD Simulation and the 3D-RISM-KH Theory.

Predicting the Binding Mode of 2-Hydroxypropyl-β-cyclodextrin to Cholesterol by Means of the MD Simulation and the 3D-RISM-KH Theory.

Journal: The journal of physical chemistry. B

Published: March 15, 2018

Perspective: Structural fluctuation of protein and Anfinsen's thermodynamic hypothesis.

Perspective: Structural fluctuation of protein and Anfinsen's thermodynamic hypothesis.

Journal: The Journal of chemical physics

Published: January 15, 2018

Showing 1-12 of 17

Last Updated: 09/26/2026