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Marco Cecchini

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2015-2023
Publications (10 Years): 23

Top Venues

Journal of chemical information and modeling

Nature communications

Journal of chemical theory and computation

Chemphyschem : a European journal of chemical physics and physical chemistry

Institut de Chimie de Strasbourg

Universität Zurich Biochemisches Institut (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Institut de Chimie de Strasbourg Jan 1o 2017

France

Junior Director

Education History

Universität Zurich Biochemisches Institut

Switzerland

PHD :: Biochemisches Institut

Publications

Diego E Barreto Gomes, Katia Galentino, Marion Sisquellas, Luca Monari, Cédric Bouysset, Marco Cecchini
ChemFlow─From 2D Chemical Libraries to Protein-Ligand Binding Free Energies. Journal of chemical information and modeling 63 (2) (2023)
Diego E Barreto Gomes, Katia Galentino, Marion Sisquellas, Luca Monari, Cédric Bouysset, Marco Cecchini
ChemFlow─From 2D Chemical Libraries to Protein-Ligand Binding Free Energies. Journal of chemical information and modeling 63 (2) (2023)
Diego E Barreto Gomes, Katia Galentino, Marion Sisquellas, Luca Monari, Cédric Bouysset, Marco Cecchini
ChemFlow─From 2D Chemical Libraries to Protein-Ligand Binding Free Energies. Journal of chemical information and modeling 63 (2) (2023)
Sophie Shi, Solène N Lefebvre, Laurie Peverini, Adrien H Cerdan, Paula Milán Rodríguez, Marc Gielen, Jean-Pierre Changeux, Marco Cecchini, Pierre-Jean Corringer
Illumination of a progressive allosteric mechanism mediating the glycine receptor activation. Nature communications 14 (1) (2023)
Michail Papadourakis, Gregory D Sinenko, Pierre Matricon, Jérôme Hénin, Grace Brannigan, Laura Pérez-Benito, Vineet Pande, Herman W T van Vlijmen, Chris de Graaf, Francesca Deflorian, Gary Tresadern, Marco Cecchini, Zoe Cournia
Alchemical Free Energy Calculations on Membrane-Associated Proteins. Journal of chemical theory and computation (2023)
Sophie Shi, Solène N Lefebvre, Laurie Peverini, Adrien H Cerdan, Paula Milán Rodríguez, Marc Gielen, Jean-Pierre Changeux, Marco Cecchini, Pierre-Jean Corringer
Illumination of a progressive allosteric mechanism mediating the glycine receptor activation. Nature communications 14 (1) (2023)
Sophie Shi, Solène N Lefebvre, Laurie Peverini, Adrien H Cerdan, Paula Milán Rodríguez, Marc Gielen, Jean-Pierre Changeux, Marco Cecchini, Pierre-Jean Corringer
Illumination of a progressive allosteric mechanism mediating the glycine receptor activation. Nature communications 14 (1) (2023)
Sophie Shi, Solène N Lefebvre, Laurie Peverini, Adrien H Cerdan, Paula Milán Rodríguez, Marc Gielen, Jean-Pierre Changeux, Marco Cecchini, Pierre-Jean Corringer
Illumination of a progressive allosteric mechanism mediating the glycine receptor activation. Nature communications 14 (1) (2023)
Diego E Barreto Gomes, Katia Galentino, Marion Sisquellas, Luca Monari, Cédric Bouysset, Marco Cecchini
ChemFlow─From 2D Chemical Libraries to Protein-Ligand Binding Free Energies. Journal of chemical information and modeling 63 (2) (2023)
Luca Monari, Katia Galentino, Marco Cecchini
ChemFlow_py: a flexible toolkit for docking and rescoring. Journal of computer-aided molecular design (2023)
Diego E Barreto Gomes, Katia Galentino, Marion Sisquellas, Luca Monari, Cédric Bouysset, Marco Cecchini
ChemFlow─From 2D Chemical Libraries to Protein-Ligand Binding Free Energies. Journal of chemical information and modeling (2023)
Lisbeth R Kjølbye, Gilberto P Pereira, Alessio Bartocci, Martina Pannuzzo, Simone Albani, Alessandro Marchetto, Brian Jiménez-García, Juliette Martin, Sybille Krauß, Marco Cecchini, Sangwook Wu, Luca Monticelli, Paulo Cesar Telles de Souza
Towards design of drugs and delivery systems with the Martini coarse-grained model. QRB discovery 3 (2022)
Johnny Hu, Sonia Adrouche, Etienne S Gauthier, Nolwenn Le Breton, Marco Cecchini, Christophe Gourlaouen, Sylvie Choua, Valérie Heitz, Henri-Pierre Jacquot de Rouville
Dual-Readout of the Mechanical Response of a Bis-acridinium [2]Rotaxane. Chemistry (Weinheim an der Bergstrasse, Germany) (2022)
Adrien H Cerdan, Laurie Peverini, Jean-Pierre Changeux, Pierre-Jean Corringer, Marco Cecchini
Lateral fenestrations in the extracellular domain of the glycine receptor contribute to the main chloride permeation pathway. Science advances 8 (41) (2022)
Alessio Bartocci, Gilberto Pereira, Marco Cecchini, Elise Dumont
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 (2022)
Florian E Blanc, Marco Cecchini
An Asymmetric Mechanism in a Symmetric Molecular Machine. The journal of physical chemistry letters 12 (13) (2021)
Marion Sisquellas, Marco Cecchini
PrepFlow: A Toolkit for Chemical Library Preparation and Management for Virtual Screening. Molecular informatics 40 (12) (2021)
Gilberto P Pereira, Marco Cecchini
Multibasin Quasi-Harmonic Approach for the Calculation of the Configurational Entropy of Small Molecules in Solution. Journal of chemical theory and computation 17 (2) (2021)
Florian E C Blanc, Tatiana Isabet, Hannah Benisty, H Lee Sweeney, Marco Cecchini, Anne Houdusse
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 115 (24) (2018)
Joel José Montalvo-Acosta, Paulina Pacak, Diego Enry Barreto Gomes, Marco Cecchini
A Linear Interaction Energy Model for Cavitand Host-Guest Binding Affinities. The journal of physical chemistry. B 122 (26) (2018)
Simone Conti, Marco Cecchini
Predicting molecular self-assembly at surfaces: a statistical thermodynamics and modeling approach. Physical chemistry chemical physics : PCCP 18 (46) (2018)
Nicolas E Martin, Siddharth Malik, Nicolas Calimet, Jean-Pierre Changeux, Marco Cecchini
Un-gating and allosteric modulation of a pentameric ligand-gated ion channel captured by molecular dynamics. PLoS computational biology 13 (10) (2017)
Simone Conti, Maria G del Rosso, Artur Ciesielski, Jürgen Weippert, Artur Böttcher, YuYoung Shin, Georgian Melinte, Ovidiu Ersen, Cinzia Casiraghi, Xinliang Feng, Klaus Müllen, Manfred M Kappes, Paolo Samorì, Marco Cecchini
Perchlorination of Coronene Enhances its Propensity for Self-Assembly on Graphene. Chemphyschem : a European journal of chemical physics and physical chemistry 17 (3) (2015)

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Publication Activity (10 Years)

Top Topics

Top Venues

Marco Cecchini