Marco Cecchini - Publications, H-index & Citations

Marco Cecchini

universites de strasbourg etablissements associes

32H指数

95论文数

3.7K被引数

收录论文 36

发表时间

Rise of AI Technologies in Virtual Screening 人工智能技术在虚拟筛选中的兴起

Journal of Chemical Information and Modeling

IF5.3

2026-04-01

PREAI

Cecchini, Marco; Sinenka, Hryhory

Hidden complexity of α7 nicotinic acetylcholine receptor desensitization revealed by MD simulations and Markov state modeling 通过分子动力学模拟和马尔可夫状态建模揭示的α7烟碱乙酰胆碱受体失敏的隐藏复杂性

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2025-02-13

OAAI

Avstrikova, Mariia; Rodriguez, Paula Milan; Burke, Sean M.; Hibbs, Ryan E.; Changeux, Jean-Pierre; Cecchini, Marco

Platinum(ii) and ruthenium(ii) coordination complexes equipped with an anchoring site for binding the protein kinase enzyme pockets: synthesis, molecular docking and biological assays

DALTON TRANSACTIONS

IF3.3

2025-01-01

OAAI

Scarpi-Luttenauer, Matthieu; Galentino, Katia; Orvain, Christophe; Fluck, Audrey; Cecchini, Marco; Mellitzer, Georg; Gaiddon, Christian; Mobian, Pierre

A millisecond coarse-grained simulation approach to decipher allosteric cannabinoid binding at the glycine receptor α1 一种毫秒级粗粒度模拟方法，用于破译甘氨酸受体 α1上的变构大麻素结合

NATURE COMMUNICATIONS

IF15.7

2024-10-19

OAAI

Bartocci, Alessio; Grazzi, Andrea; Awad, Nour; Corringer, Pierre-Jean; Souza, Paulo C. T.; Cecchini, Marco

The Nicotinic Acetylcholine Receptor and Its Pentameric Homologs: Toward an Allosteric Mechanism of Signal Transduction at the Atomic Level 烟碱乙酰胆碱受体及其五聚体同源物: 在原子水平上迈向信号转导的变构机制

ANNUAL REVIEW OF BIOCHEMISTRY

IF20.5

2024-08-02

PREAI

Cecchini, Marco; Corringer, Pierre-Jean; Changeux, Jean-Pierre

Alchemical Free Energy Calculations on Membrane-Associated Proteins 膜相关蛋白的炼化自由能计算

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-10-30

OAAI

Papadourakis, Michail; Sinenka, Hryhory; Matricon, Pierre; Henin, Jerome; Brannigan, Grace; Perez-Benito, Laura; Pande, Vineet; van Vlijmen, Herman; de Graaf, Chris; Deflorian, Francesca; Tresadern, Gary; Cecchini, Marco; Cournia, Zoe

ChemFlow_py: a flexible toolkit for docking and rescoring ChemFlow_py: 用于对接和重新计算的灵活工具包

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2023-08-24

OAAI

Monari, Luca; Galentino, Katia; Cecchini, Marco

Illumination of a progressive allosteric mechanism mediating the glycine receptor activation 介导甘氨酸受体激活的进行性变构机制的照明

NATURE COMMUNICATIONS

IF15.7

2023-02-13

OAAI

Shi, Sophie; Lefebvre, Solene N.; Peverini, Laurie; Cerdan, Adrien H.; Rodriguez, Paula Milan; Gielen, Marc; Changeux, Jean-Pierre; Cecchini, Marco; Corringer, Pierre-Jean

ChemFlow--From 2D Chemical Libraries to Protein-Ligand Binding Free Energies

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-01-05

OAAI

Gomes, Diego E. Barreto; Galentino, Katia; Sisquellas, Marion; Monari, Luca; Bouysset, Cedric; Cecchini, Marco

Dual-Readout of the Mechanical Response of a Bis-acridinium [2]Rotaxane 双吖啶鎓 [2] 轮烷的机械响应的双重读出

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2022-11-27

OAAI

Hu, Johnny; Adrouche, Sonia; Gauthier, Etienne S.; Le Breton, Nolwenn; Cecchini, Marco; Gourlaouen, Christophe; Choua, Sylvie; Heitz, Valerie; de Rouville, Henri-Pierre Jacquot

Lateral fenestrations in the extracellular domain of the glycine receptor contribute to the main chloride permeation pathway 甘氨酸受体胞外域中的侧向开窗有助于主要的氯离子渗透途径

SCIENCE ADVANCES

IF12.5

2022-10-14

OAAI

Cerdan, Adrien H.; Peverini, Laurie; Changeux, Jean-Pierre; Corringer, Pierre-Jean; Cecchini, Marco

Capturing the Recognition Dynamics of para-Sulfonato calix[4]arenes by Cytochrome c: Toward a Quantitative Free Energy Assessment

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2022-09-02

PREAI

Bartocci, Alessio; Pereira, Gilberto; Cecchin, Marco; Dumont, Elise

Nicotinic receptors: From protein allostery to computational neuropharmacology 烟碱受体: 从蛋白质变构到计算神经药理学

MOLECULAR ASPECTS OF MEDICINE

IF10.3

2022-04-01

OAAI

Cecchini, Marco; Changeux, Jean-Pierre

Multibasin Quasi-Harmonic Approach for the Calculation of the Configurational Entropy of Small Molecules in Solution

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2021-01-07

PREAI

Pereira, Gilberto P.; Cecchini, Marco

A Supramolecular Model for the Co-Catalytic Role of Nitro Compounds in Bronsted Acid Catalyzed Reactions

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2020-06-05

OAAI

Montalvo-Acosta, Joel J.; Dryzhakov, Marian; Richmond, Edward; Cecchini, Marco; Moran, Joseph

An intermediate along the recovery stroke of myosin VI revealed by X-ray crystallography and molecular dynamics

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2018-05-29

OAAI

Blanc, Florian; Isabet, Tatiana; Benisty, Hannah; Sweeney, H. Lee; Cecchini, Marco; Houdusse, Anne

On the permeation of large organic cations through the pore of ATP-gated P2X receptors

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2017-04-25

OAAI

Harkat, Mahboubi; Peverini, Laurie; Cerdan, Adrien H.; Dunning, Kate; Beudez, Juline; Martz, Adeline; Calimet, Nicolas; Specht, Alexandre; Cecchini, Marco; Chataigneau, Thierry; Grutter, Thomas

The myosin X motor is optimized for movement on actin bundles

NATURE COMMUNICATIONS

IF15.7

2016-09-01

OAAI

Ropars, Virginie; Yang, Zhaohui; Isabet, Tatiana; Blanc, Florian; Zhou, Kaifeng; Lin, Tianming; Liu, Xiaoyan; Hissier, Pascale; Samazan, Frederic; Amigues, Beatrice; Yang, Eric D.; Park, Hyokeun; Pylypenko, Olena; Cecchini, Marco; Sindelar, Charles V.; Sweeney, H. Lee; Houdusse, Anne

Myosin MyTH4-FERM structures highlight important principles of convergent evolution

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2016-05-10

OAAI

Planelles-Herrero, Vicente Jose; Blanc, Florian; Sirigu, Serena; Sirkia, Helena; Clause, Jeffrey; Sourigues, Yannick; Johnsrud, Daniel O.; Amigues, Beatrice; Cecchini, Marco; Gilbert, Susan P.; Houdusse, Anne; Titus, Margaret A.

Photo-switchable tweezers illuminate pore-opening motions of an ATP-gated P2X ion channel

ELIFE

IF0

2016-01-25

OAAI

Habermacher, Chloe; Martz, Adeline; Calimet, Nicolas; Lemoine, Damien; Peverini, Laurie; Specht, Alexandre; Cecchini, Marco; Grutter, Thomas

研究方向