Francesco Luigi Gervasio (Francesco L Gervasio)

Scopus Author ID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 52

Top Venues

Journal of chemical information and modeling

Journal of chemical theory and computation

eLife

Nature communications

University of Geneva

Universita degli Studi di Firenze (PHD)

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

Affiliation History

University of Geneva Feb 01 2020

Switzerland

Full Professor :: Pharmaceutical Sciences

University College London Feb 01 2013

United Kingdom

Professor :: Chemistry

Spanish National Cancer Research Center (CNIO) Feb 01 2009 - Jul 01 2013

Spain

Group Leader :: Structural Biology and Biocomputing

Eidgenössische Technische Hochschule Zürich Feb 01 2006 - Feb 01 2009

Switzerland

Oberassistant :: Department of Chemistry and Applied Biosciences

Eidgenössische Technische Hochschule Zürich Feb 01 2002 - Feb 01 2006

Switzerland

Post Doctoral Research Assistant :: DCHAB

Education History

Universita degli Studi di Firenze - Dec 20 2001

Italy

PHD :: Chemistry

Publications

Alberto Borsatto, Eleonora Gianquinto, Valerio Rizzi, Francesco Luigi Gervasio
SWISH-X, an Expanded Approach to Detect Cryptic Pockets in Proteins and at Protein-Protein Interfaces. Journal of chemical theory and computation (2024)
Jacqueline C Calderón, Passainte Ibrahim, Dorothea Gobbo, Francesco Luigi Gervasio, Timothy Clark
Determinants of Neutral Antagonism and Inverse Agonism in the β 2 -Adrenergic Receptor. Journal of chemical information and modeling (2024)
R Sumanth Iyer, Sarah R Needham, Ioannis Galdadas, Benjamin M Davis, Selene K Roberts, Rico C H Man, Laura C Zanetti-Domingues, David T Clarke, Gilbert O Fruhwirth, Peter J Parker, Daniel J Rolfe, Francesco Luigi Gervasio, Marisa L Martin-Fernandez
Drug-resistant EGFR mutations promote lung cancer by stabilizing interfaces in ligand-free kinase-active EGFR oligomers. Nature communications 15 (1) (2024)
Thorben Fröhlking, Luigi Bonati, Valerio Rizzi, Francesco Luigi Gervasio
Deep learning path-like collective variable for enhanced sampling molecular dynamics. The Journal of chemical physics 160 (17) (2024)
Jacqueline C Calderón, Passainte Ibrahim, Dorothea Gobbo, Francesco Luigi Gervasio, Timothy Clark
Determinants of Neutral Antagonism and Inverse Agonism in the β 2 -Adrenergic Receptor. Journal of chemical information and modeling 64 (6) (2024)
R Sumanth Iyer, Sarah R Needham, Ioannis Galdadas, Benjamin M Davis, Selene K Roberts, Rico C H Man, Laura C Zanetti-Domingues, David T Clarke, Gilbert O Fruhwirth, Peter J Parker, Daniel J Rolfe, Francesco Luigi Gervasio, Marisa L Martin-Fernandez
Drug-resistant EGFR mutations promote lung cancer by stabilizing interfaces in ligand-free kinase-active EGFR oligomers. Nature communications 15 (1) (2024)
Alberto Borsatto, Eleonora Gianquinto, Valerio Rizzi, Francesco Luigi Gervasio
SWISH-X, an Expanded Approach to Detect Cryptic Pockets in Proteins and at Protein-Protein Interfaces. Journal of chemical theory and computation 20 (8) (2024)
Alberto Borsatto, Eleonora Gianquinto, Valerio Rizzi, Francesco Luigi Gervasio
SWISH-X, an Expanded Approach to Detect Cryptic Pockets in Proteins and at Protein-Protein Interfaces. Journal of chemical theory and computation 20 (8) (2024)
Jacqueline C Calderón, Passainte Ibrahim, Dorothea Gobbo, Francesco Luigi Gervasio, Timothy Clark
Determinants of Neutral Antagonism and Inverse Agonism in the β 2 -Adrenergic Receptor. Journal of chemical information and modeling 64 (6) (2024)
Jacqueline C Calderón, Passainte Ibrahim, Dorothea Gobbo, Francesco Luigi Gervasio, Timothy Clark
Determinants of Neutral Antagonism and Inverse Agonism in the β 2 -Adrenergic Receptor. Journal of chemical information and modeling 64 (6) (2024)
R Sumanth Iyer, Sarah R Needham, Ioannis Galdadas, Benjamin M Davis, Selene K Roberts, Rico C H Man, Laura C Zanetti-Domingues, David T Clarke, Gilbert O Fruhwirth, Peter J Parker, Daniel J Rolfe, Francesco Luigi Gervasio, Marisa L Martin-Fernandez
Drug-resistant EGFR mutations promote lung cancer by stabilizing interfaces in ligand-free kinase-active EGFR oligomers. Nature communications 15 (1) (2024)
Maurice Karrenbrock, Valerio Rizzi, Piero Procacci, Francesco Luigi Gervasio
Addressing Suboptimal Poses in Nonequilibrium Alchemical Calculations. The journal of physical chemistry. B (2024)
Maurice Karrenbrock, Valerio Rizzi, Piero Procacci, Francesco Luigi Gervasio
Addressing Suboptimal Poses in Nonequilibrium Alchemical Calculations. The journal of physical chemistry. B 128 (7) (2024)
Alberto Borsatto, Eleonora Gianquinto, Valerio Rizzi, Francesco Luigi Gervasio
SWISH-X, an Expanded Approach to Detect Cryptic Pockets in Proteins and at Protein-Protein Interfaces. Journal of chemical theory and computation 20 (8) (2024)
Maurice Karrenbrock, Alberto Borsatto, Valerio Rizzi, Dominykas Lukauskis, Simone Aureli, Francesco Luigi Gervasio
Absolute Binding Free Energies with OneOPES. The journal of physical chemistry letters (2024)
Maurice Karrenbrock, Valerio Rizzi, Piero Procacci, Francesco Luigi Gervasio
Addressing Suboptimal Poses in Nonequilibrium Alchemical Calculations. The journal of physical chemistry. B 128 (7) (2024)
Alberto Borsatto, Eleonora Gianquinto, Valerio Rizzi, Francesco Luigi Gervasio
SWISH-X, an Expanded Approach to Detect Cryptic Pockets in Proteins and at Protein-Protein Interfaces. Journal of chemical theory and computation 20 (8) (2024)
Jacqueline C Calderón, Eva Plut, Max Keller, Chiara Cabrele, And Oliver Reiser, Francesco Luigi Gervasio, Timothy Clark
Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors. Journal of chemical information and modeling 64 (1) (2023)
Jacqueline C Calderón, Eva Plut, Max Keller, Chiara Cabrele, And Oliver Reiser, Francesco Luigi Gervasio, Timothy Clark
Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors. Journal of chemical information and modeling 64 (1) (2023)
Jacqueline C Calderón, Passainte Ibrahim, Dorothea Gobbo, Francesco Luigi Gervasio, Timothy Clark
General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor. Journal of chemical information and modeling 63 (10) (2023)
Jacqueline C Calderón, Passainte Ibrahim, Dorothea Gobbo, Francesco Luigi Gervasio, Timothy Clark
General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor. Journal of chemical information and modeling 63 (10) (2023)
Valerio Rizzi, Simone Aureli, Narjes Ansari, Francesco Luigi Gervasio
OneOPES, a Combined Enhanced Sampling Method to Rule Them All. Journal of chemical theory and computation (2023)
Jacqueline C Calderón, Passainte Ibrahim, Dorothea Gobbo, Francesco Luigi Gervasio, Timothy Clark
General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor. Journal of chemical information and modeling (2023)
Jacqueline C Calderón, Passainte Ibrahim, Dorothea Gobbo, Francesco Luigi Gervasio, Timothy Clark
Activation/Deactivation Free-Energy Profiles for the β 2 -Adrenergic Receptor: Ligand Modes of Action. Journal of chemical information and modeling (2023)
Chao Qi, Silvia Acosta Gutierrez, Pia Lavriha, Alaa Othman, Diego Lopez-Pigozzi, Erva Bayraktar, Dina Schuster, Paola Picotti, Nicola Zamboni, Mario Bortolozzi, Francesco Luigi Gervasio, Volodymyr M Korkhov
Structure of the connexin-43 gap junction channel in a putative closed state. eLife 12 (2023)
Jacqueline C Calderón, Eva Plut, Max Keller, Chiara Cabrele, And Oliver Reiser, Francesco Luigi Gervasio, Timothy Clark
Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors. Journal of chemical information and modeling (2023)
Pauline Juyoux, Ioannis Galdadas, Dorothea Gobbo, Jill von Velsen, Martin Pelosse, Mark D Tully, Oscar Vadas, Francesco Luigi Gervasio, Erika Pellegrini, Matthew W Bowler
Architecture of the MKK6-p38α complex defines the basis of MAPK specificity and activation. Science (New York, N.Y.) 381 (6663) (2023)
Jacqueline C Calderón, Eva Plut, Max Keller, Chiara Cabrele, And Oliver Reiser, Francesco Luigi Gervasio, Timothy Clark
Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors. Journal of chemical information and modeling 64 (1) (2023)
Dominykas Lukauskis, Marley L Samways, Simone Aureli, Benjamin P Cossins, Richard D Taylor, Francesco Luigi Gervasio
Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein-Ligand Binding Poses. Journal of chemical information and modeling (2022)
Susanta Haldar, Yashu Zhang, Ying Xia, Barira Islam, Sisi Liu, Francesco Luigi Gervasio, Adrian J Mulholland, Zoë A E Waller, Dengguo Wei, Shozeb M Haider
Mechanistic Insights into the Ligand-Induced Unfolding of an RNA G-Quadruplex. Journal of the American Chemical Society 144 (2) (2022)
Alberto Borsatto, Obaeda Akkad, Ioannis Galdadas, Shumeng Ma, Shymaa Damfo, Shozeb M Haider, Frank Kozielski, Carolina Estarellas, Francesco Luigi Gervasio
Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other β-coronaviruses by simulations and crystallography. eLife 11 (2022)
Ioannis Galdadas, Shen Qu, Ana Sofia F Oliveira, Edgar Olehnovics, Andrew R Mack, Maria F Mojica, Pratul K Agarwal, Catherine L Tooke, Francesco Luigi Gervasio, James Spencer, Robert A Bonomo, Adrian J Mulholland, Shozeb M Haider
Allosteric communication in class A β-lactamases occurs via cooperative coupling of loop dynamics. eLife 10 (2021)
Ioannis Galdadas, Luca Carlino, Richard A Ward, Samantha J Hughes, Shozeb M Haider, Francesco Luigi Gervasio
Structural basis of the effect of activating mutations on the EGF receptor. eLife 10 (2021)
Edoardo Cignoni, Margherita Lapillo, Lorenzo Cupellini, Silvia Acosta-Gutiérrez, Francesco Luigi Gervasio, Benedetta Mennucci
A different perspective for nonphotochemical quenching in plant antenna complexes. Nature communications 12 (1) (2021)
Antonija Kuzmanic, Gregory R Bowman, Jordi Juarez-Jimenez, Julien Michel, Francesco Luigi Gervasio
Investigating Cryptic Binding Sites by Molecular Dynamics Simulations. Accounts of chemical research 53 (3) (2020)
Rhys Evans, Ladislav Hovan, Gareth A Tribello, Benjamin P Cossins, Carolina Estarellas, Francesco Luigi Gervasio
Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies. Journal of chemical theory and computation 16 (7) (2020)
Giulio Mattedi, Silvia Acosta-Gutiérrez, Timothy Clark, Francesco Luigi Gervasio
A combined activation mechanism for the glucagon receptor. Proceedings of the National Academy of Sciences of the United States of America 117 (27) (2020)
Giulio Mattedi, Francesca Deflorian, Jonathan S Mason, Chris de Graaf, Francesco Luigi Gervasio
Understanding Ligand Binding Selectivity in a Prototypical GPCR Family. Journal of chemical information and modeling 59 (6) (2019)
Carolina Estarellas, Salvatore Scaffidi, Giorgio Saladino, Francesca Spyrakis, Lorella Franzoni, Carles Galdeano, Axel Bidon-Chanal, Francesco Luigi Gervasio, Francisco Javier Luque
Modulating Ligand Dissociation through Methyl Isomerism in Accessory Sites: Binding of Retinol to Cellular Carriers. The journal of physical chemistry letters 10 (23) (2019)
Antonija Kuzmanic, Ruth B Pritchard, D Flemming Hansen, Francesco Luigi Gervasio
Importance of the Force Field Choice in Capturing Functionally Relevant Dynamics in the von Willebrand Factor. The journal of physical chemistry letters 10 (8) (2019)
Laura C Zanetti-Domingues, Dimitrios Korovesis, Sarah R Needham, Christopher J Tynan, Shiori Sagawa, Selene K Roberts, Antonija Kuzmanic, Elena Ortiz-Zapater, Purvi Jain, Rob C Roovers, Alireza Lajevardipour, Paul M P van Bergen En Henegouwen, George Santis, Andrew H A Clayton, David T Clarke, Francesco Luigi Gervasio, Yibing Shan, David E Shaw, Daniel J Rolfe, Peter J Parker, Marisa L Martin-Fernandez
The architecture of EGFR's basal complexes reveals autoinhibition mechanisms in dimers and oligomers. Nature communications 9 (1) (2018)
Ioannis Galdadas, Silvia Lovera, Guillermo Pérez-Hernández, Melissa D Barnes, Jess Healy, Hamidreza Afsharikho, Neil Woodford, Robert A Bonomo, Francesco Luigi Gervasio, Shozeb M Haider
Defining the architecture of KPC-2 Carbapenemase: identifying allosteric networks to fight antibiotics resistance. Scientific reports 8 (1) (2018)
Susanta Haldar, Federico Comitani, Giorgio Saladino, Christopher Woods, Marc W Van der Kamp, Adrian J Mulholland, Francesco Luigi Gervasio
A Multiscale Simulation Approach to Modeling Drug-Protein Binding Kinetics. Journal of chemical theory and computation 14 (11) (2018)
Ladislav Hovan, Federico Comitani, Francesco Luigi Gervasio
Defining an Optimal Metric for the Path Collective Variables. Journal of chemical theory and computation 15 (1) (2018)
Federico Comitani, Francesco Luigi Gervasio
Exploring Cryptic Pockets Formation in Targets of Pharmaceutical Interest with SWISH. Journal of chemical theory and computation 14 (6) (2018)
Merav Ordan, Chiara Pallara, Galia Maik-Rachline, Tamar Hanoch, Francesco Luigi Gervasio, Fabian Glaser, Juan Fernández-Recio, Rony Seger
Intrinsically active MEK variants are differentially regulated by proteinases and phosphatases. Scientific reports 8 (1) (2018)
Noureldin Saleh, Giorgio Saladino, Francesco Luigi Gervasio, Timothy Clark
Investigating allosteric effects on the functional dynamics of β2-adrenergic ternary complexes with enhanced-sampling simulations. Chemical science 8 (5) (2017)
Antonija Kuzmanic, Ludovico Sutto, Giorgio Saladino, Angel R Nebreda, Francesco Luigi Gervasio, Modesto Orozco
Changes in the free-energy landscape of p38α MAP kinase through its canonical activation and binding events as studied by enhanced molecular dynamics simulations. eLife 6 (2017)
Ladislav Hovan, Vladimiras Oleinikovas, Havva Yalinca, Andriy Kryshtafovych, Giorgio Saladino, Francesco Luigi Gervasio
Assessment of the model refinement category in CASP12. Proteins (2017)
Noureldin Saleh, Passainte Ibrahim, Giorgio Saladino, Francesco Luigi Gervasio, Timothy Clark
An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands. Journal of chemical information and modeling 57 (5) (2017)
Lorena Ruiz-Pérez, Lea Messager, Jens Gaitzsch, Adrian Joseph, Ludovico Sutto, Francesco Luigi Gervasio, Giuseppe Battaglia
Molecular engineering of polymersome surface topology. Science advances 2 (4) (2016)
Noureldin Saleh, Giorgio Saladino, Francesco Luigi Gervasio, Elke Haensele, Lee Banting, David C Whitley, Jana Sopkova-de Oliveira Santos, Ronan Bureau, Timothy Clark
A Three-Site Mechanism for Agonist/Antagonist Selective Binding to Vasopressin Receptors. Angewandte Chemie (International ed. in English) 55 (28) (2016)

Francesco Luigi Gervasio.css-eqlu8i{font-size:small;padding-left:4px;} (Francesco L Gervasio)

Publication Activity (10 Years)

Top Topics

Top Venues

Francesco Luigi Gervasio (Francesco L Gervasio)