Publications by authors named "Marco Stenta"

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NOCTIS: open-source toolkit that turns reaction data into actionable graph networks.
Nataliya Lopanitsyna, Marta Pasquini, Marco Stenta

J Cheminform· December 2025

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LinChemIn: Route Arithmetic─Operations on Digital Synthetic Routes.
Marta Pasquini, Marco Stenta

J Chem Inf Model· March 2024

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Fast Customization of Chemical Language Models to Out-of-Distribution Data Sets.
Alessandra Toniato, Alain C Vaucher, Marzena Maria Lehmann, Torsten Luksch, Philippe Schwaller, Marco Stenta

Chem Mater· November 2023

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LinChemIn: SynGraph-a data model and a toolkit to analyze and compare synthetic routes.
Marta Pasquini, Marco Stenta

J Cheminform· April 2023

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Medicinal Chemistry and Chemical Biology Highlights.
Marco Stenta

Chimia (Aarau)· March 2021

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TAL effectors specificity stems from negative discrimination.
Basile I M Wicky, Marco Stenta, Matteo Dal Peraro

PLoS One· January 2015

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Target-site resistance to neonicotinoids.
Andrew J Crossthwaite, Stefano Rendine, Marco Stenta, Russell Slater

J Chem Biol· October 2014

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Reaction Mechanism and Catalytic Fingerprint of Allantoin Racemase.
Christophe Bovigny, Matteo Thomas Degiacomi, Thomas Lemmin, Matteo Dal Peraro, Marco Stenta

J Phys Chem B· July 2014

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Functional dissection of intersubunit interactions in the EspR virulence regulator of Mycobacterium tuberculosis.
Benjamin Blasco, Aleksandre Japaridze, Marco Stenta, Basile I M Wicky, Giovanni Dietler

J Bacteriol· May 2014

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In situ structural analysis of the Yersinia enterocolitica injectisome.
Mikhail Kudryashev, Marco Stenta, Stefan Schmelz, Marlise Amstutz, Ulrich Wiesand

Elife· July 2013

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A rational approach towards a new ferrocenyl pyrrolidine for stereoselective enamine catalysis.
Diego Petruzziello, Marco Stenta, Andrea Mazzanti, Pier Giorgio Cozzi

Chemistry· June 2013

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Molecular Simulations Highlight the Role of Metals in Catalysis and Inhibition of Type II Topoisomerase.
Giulia Palermo, Marco Stenta, Andrea Cavalli, Matteo Dal Peraro, Marco De Vivo

J Chem Theory Comput· February 2013

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The lipopolysaccharide from Capnocytophaga canimorsus reveals an unexpected role of the core-oligosaccharide in MD-2 binding.
Simon Ittig, Buko Lindner, Marco Stenta, Pablo Manfredi, Evelina Zdorovenko

PLoS Pathog· November 2012

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Atypical DNA recognition mechanism used by the EspR virulence regulator of Mycobacterium tuberculosis.
Benjamin Blasco, Marco Stenta, Livan Alonso-Sarduy, Giovanni Dietler, Matteo Dal Peraro

Mol Microbiol· October 2011

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An introduction to quantum chemical methods applied to drug design.
Marco Stenta, Matteo Dal Peraro

Front Biosci (Elite Ed)· June 2011

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Product formation in rhodopsin by fast hydrogen motions.
Oliver Weingart, Piero Altoè, Marco Stenta, Andrea Bottoni, Giorgio Orlandi

Phys Chem Chem Phys· March 2011

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Asymmetric phase-transfer-catalyzed intramolecular N-alkylation of indoles and pyrroles: a combined experimental and theoretical investigation.
Marco Bandini, Andrea Bottoni, Astrid Eichholzer, Gian Pietro Miscione, Marco Stenta

Chemistry· November 2010

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Merging organocatalysis with an indium(III)-mediated process: a stereoselective α-alkylation of aldehydes with allylic alcohols.
Montse Guiteras Capdevila, Fides Benfatti, Luca Zoli, Marco Stenta, Pier Giorgio Cozzi

Chemistry· October 2010

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Length control of the injectisome needle requires only one molecule of Yop secretion protein P (YscP).
Stefanie Wagner, Marco Stenta, Lisa C Metzger, Matteo Dal Peraro, Guy R Cornelis

Proc Natl Acad Sci U S A· August 2010

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Adenine deactivation in DNA resolved at the CASPT2//CASSCF/ AMBER level.
Irene Conti, Piero Altoè, Marco Stenta, Marco Garavelli, Giorgio Orlandi

Phys Chem Chem Phys· May 2010

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Ring-opening/ring-closing protocols from nitrothiophenes: six-membered versus unusual eight-membered sulfur heterocycles through Michael-type addition on nitrobutadienes.
Lara Bianchi, Gianluca Giorgi, Massimo Maccagno, Giovanni Petrillo, Fernando Sancassan, Marco Stenta

Chemistry· January 2010

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Deciphering intrinsic deactivation/isomerization routes in a phytochrome chromophore model.
Piero Altoè, Teresa Climent, Giulia C De Fusco, Marco Stenta, Andrea Bottoni

J Phys Chem B· November 2009

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ortho-Substituted (aryl)(3-nitrobenzo[b]thiophen-2-yl)amines: study of the electrochemical behavior.
Barbara Cosimelli, Camilla Zaira Lanza, Erika Scavetta, Elda Severi, Domenico Spinelli, Marco Stenta

J Phys Chem A· September 2009

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Catalytic Mechanism of Diaminopimelate Epimerase: A QM/MM Investigation.
Marco Stenta, Matteo Calvaresi, Piero Altoè, Domenico Spinelli, Marco Garavelli

J Chem Theory Comput· July 2009

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Electrostatic control of the photoisomerization efficiency and optical properties in visual pigments: on the role of counterion quenching.
Gaia Tomasello, Gloria Olaso-González, Piero Altoè, Marco Stenta, Luis Serrano-Andrés

J Am Chem Soc· April 2009

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