日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

Robust Conformational Space Exploration of Cyclic Peptides by Combining Different MD Protocols and Force Fields

结合不同的分子动力学模拟方案和力场，对环肽进行稳健的构象空间探索

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.5c01123
Murail, Samuel; Sawmynaden, Jaysen; Zemirli, Akli; Jusot, Maud; Pietrucci, Fabio; Chomilier, Jacques; Tufféry, Pierre; Stratmann, Dirk
发表日期：2025
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Simulated Solute Tempering 2: An Efficient and Practical Approach to Protein Conformational Sampling and Binding Events

模拟溶质调温 2：一种高效实用的蛋白质构象采样和结合事件方法

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.5c00950
Stratmann, Dirk; Moroy, Gautier; Tuffery, Pierre; Murail, Samuel
发表日期：2025
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Pred-O3, a web server to predict molecules, olfactory receptors and odor relationships

Pred-O3是一个用于预测分子、嗅觉受体和气味关系的网络服务器。

期刊:Nucleic Acids Research
影响因子:13.1
doi:10.1093/nar/gkae305
Ollitrault, Guillaume; Achebouche, Rayane; Dreux, Antoine; Murail, Samuel; Audouze, Karine; Tromelin, Anne; Taboureau, Olivier
信号转导
发表日期：2024
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PEP-FOLD4: a pH-dependent force field for peptide structure prediction in aqueous solution

PEP-FOLD4：一种用于预测水溶液中肽结构的pH依赖性力场

期刊:Nucleic Acids Research
影响因子:13.1
doi:10.1093/nar/gkad376
Rey, Julien; Murail, Samuel; de Vries, Sjoerd; Derreumaux, Philippe; Tuffery, Pierre
发表日期：2023
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In Silico and In Vivo Studies of a Tumor-Penetrating and Interfering Peptide with Antitumoral Effect on Xenograft Models of Breast Cancer

计算机模拟和体内研究一种具有抗肿瘤作用的肿瘤穿透干扰肽在乳腺癌异种移植模型中的作用

期刊:Pharmaceutics
影响因子:5.5
doi:10.3390/pharmaceutics15041180
Marin, Gustavo H; Murail, Samuel; Andrini, Laura; Garcia, Marcela; Loisel, Severine; Tuffery, Pierre; Rebollo, Angelita
肿瘤
肿瘤免疫
乳腺癌
发表日期：2023
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Binding and Kinetic Analysis of Human Protein Phosphatase PP2A Interactions with Caspase 9 Protein and the Interfering Peptide C9h

人蛋白磷酸酶PP2A与Caspase 9蛋白及干扰肽C9h相互作用的结合和动力学分析

期刊:Pharmaceutics
影响因子:5.5
doi:10.3390/pharmaceutics14102055
Dorgham, Karim; Murail, Samuel; Tuffery, Pierre; Savier, Eric; Bravo, Jeronimo; Rebollo, Angelita
信号转导
Human
发表日期：2022
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InterEvDock3: a combined template-based and free docking server with increased performance through explicit modeling of complex homologs and integration of covariation-based contact maps

InterEvDock3：一款结合了模板和自由对接技术的对接服务器，通过对复杂同源基因进行显式建模和整合基于共变关系的接触图谱，显著提升了性能。

期刊:Nucleic Acids Research
影响因子:13.1
doi:10.1093/nar/gkab358
Quignot, Chloé; Postic, Guillaume; Bret, Hélène; Rey, Julien; Granger, Pierre; Murail, Samuel; Chacón, Pablo; Andreani, Jessica; Tufféry, Pierre; Guerois, Raphaël
发表日期：2021
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Oriented chiral water wires in artificial transmembrane channels

人工跨膜通道中的定向手性水线

期刊:Science Advances
影响因子:11.7
doi:10.1126/sciadv.aao5603
Istvan Kocsis, Mirco Sorci, Heather Vanselous, Samuel Murail, Stephanie E Sanders, Erol Licsandru, Yves-Marie Legrand, Arie van der Lee, Marc Baaden, Poul B Petersen, Georges Belfort, Mihail Barboiu
信号转导
发表日期：2018
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Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels

五聚体配体门控离子通道中离子渗透机制的结构基础

期刊:EMBO Journal
影响因子:8.3
doi:10.1038/emboj.2013.17
Sauguet, Ludovic; Poitevin, Frédéric; Murail, Samuel; Van Renterghem, Catherine; Moraga-Cid, Gustavo; Malherbe, Laurie; Thompson, Andrew W; Koehl, Patrice; Corringer, Pierre-Jean; Baaden, Marc; Delarue, Marc
发表日期：2013
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Microsecond simulations indicate that ethanol binds between subunits and could stabilize an open-state model of a glycine receptor

微秒级模拟表明，乙醇能够结合在亚基之间，并可能稳定甘氨酸受体的开放状态模型。

期刊:Biophysical Journal
影响因子:3.1
doi:10.1016/j.bpj.2011.02.032
Murail, Samuel; Wallner, Björn; Trudell, James R; Bertaccini, Edward; Lindahl, Erik
信号转导
发表日期：2011
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