Work

Flexibility and Cell Permeability of Cyclic Ras-Inhibitor Peptides Revealed by the Coupled Nosé–Hoover Equation

Year: 2021

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.0c01427

Authors: Kei Moritsugu, Koh Takeuchi, Narutoshi Kamiya, Junichi Higo, Isao Yasumatsu, Yoshifumi Fukunishi, Ikuo Fukuda

Institutions: Yokohama City University, National Institute of Advanced Industrial Science and Technology, University of Hyogo, Institute for Protein Research, The University of Osaka, The University of Osaka, Daiichi Sankyo RD Novare (Japan)

Language: English

Topic: Protein Structure and Dynamics

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: closed

Funders: Japan Agency for Medical Research and Development, Japan Society for the Promotion of Science

Awards: Development of basic strategy to structurally evaluate the membrane permeation activity of middle-size molecules, Realization of variable molecular dynamics simulations by generalized cutoff method and double density dynamics, A molecular dynamics method incorporating deeply interconnected parameter-varied dynamics and charge-distribution-dependent potential functions, Complex structure and affinity prediction among cancer vaccine peptides and immune related proteins, Uncovering structural origin relating to non-Markov protein dynamics, G8080096147, Analysis of functional dynamics of membrane proteins in different membrane environments

OpenAlex ID: W3147350295

FWCI: 0.349

Cites: 56

Cited by: 9

Related to: 10