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Graph neural networks and molecular docking as two complementary approaches for virtual screening: a case study on Cruzain

Adriano Martin Luchi, José Leonardo Gomez Chávez, Roxana Noelia Villafañe, Germán Andrés Conti, Ernesto Rafael Pérez, Emilio Angelina, Nélida María Peruchena

Version 1 posted 21 December 2022

264

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Materials Science

Working Paper

Morin loaded mesoporous molecular sieves as novel devices to the potential treatment of tumor pathologies

María Gabriela Montiel Schneider, María Julia Martin, Natalia Cuello, Florencia Favatela, Claudia Gentili, Verónica Elias, Griselda Eimer, Verónica Lassalle

Version 1 posted 02 March 2023

112

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Inorganic Chemistry

Working Paper

Roles of the tyrosine diiron ligand of a mycobacterial hemerythrin-like protein on spectroscopic and redox properties, and catalase and nitric oxide reactivities

Christopher Martin, Zhongxin Ma, Ashley Holland, Maria Luiza Caldas Nogueira, Victor Davidson, Jonathan Caranto

Version 1 posted 26 July 2023

145

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Materials Science

Working Paper

X-ray induced ultrafast charge transfer in thiophene-based conjugated polymers controlled by core-hole clock spectroscopy

Nicolas Velasquez, Fernanda Brandalise Nunes, Oksana Travnikova, Iyas Ismail, Renaud Guillemin, Jessica B. Martins, Denis Céolin, Loïc Journel, Laure Fillaud, Dimitris Koulentianos, Chinnathambi Kamal, Ralph Püttner, Maria Novella Piancastelli, Marc Simon, Michael Odelius, Marcella Iannuzzi, Tatiana Marchenko

Version 1 posted 21 July 2023

164

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Inorganic Chemistry

Working Paper

Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: alkyl transfer and acyclic diaminocarbene formation

Lucía Álvarez Miguel, Clara del Carmen Rodríguez, María Valle, Celedonio M. Álvarez, José M. Martin Álvarez, Raúl García-Rodríguez, Daniel Miguel

Version 1 posted 12 December 2023

167

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Physical Chemistry

Working Paper

Oxidation state dependent conjugation controls electrocatalytic activity in a two-dimensional di-copper metal-organic framework

Anna Maria Dominic, Zhiyong Wang, Agnieszka Kuc, Petko Petkov, Khoa Hoang Ly, Thi Lam Huong Pham, Martin Kutzschbach, Yuanyuan Cao, Julien Bachmann, Xinliang Feng, Renhao Dong, Inez Weidinger

Version 1 posted 02 November 2022

355

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Catalysis

Working Paper

Activating [FeFe] hydrogenase mimic for hydrogen evolution under visible light

Philipp Buday, Chizuru Kasahara, Elisabeth Hofmeister, Daniel Kowalczyk, Michael K. Farh, Saskia Riediger, Martin Schulz, Maria Wächtler, Shunsuke Furukawa, Masaichi Saito, Dirk Ziegenbalg, Stefanie Gräfe, Peter Bäuerle, Stephan Kupfer, Benjamin Dietzek-Ivanšić, Wolfgang Weigand

Version 3 posted 18 October 2021

691

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Materials Chemistry

Working Paper

Sol-Gel Processing of a Covalent Organic Framework for the Generation of Hierarchically Porous Monolithic Adsorbents

Mark Carrington, Nakul Rampal, David G. Madden, Daniel O'Nolan, Nicola Pietro Maria Casati, Giorgio Divitini, Ritums Cepitis, Jesus A. Martin Ilan, Ceren Camur, Joaquin Silvestre-Albero, Felix Zamora, Sergei Taraskin, Karena W. Chapman, David Fairen-Jimenez

Version 1 posted 08 April 2021

851

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1

Citations

Analytical Chemistry

Working Paper

Site-Selective Palladium-Catalyzed Oxidation of Glucose in Glycopeptides

Niels R.M. Reintjens, Liubov Yakovlieva, Nittert Marinus, Johan Hekelaar, Francesca Nuti, Anna Maria Papini, Martin D. Witte, Adriaan J. Minnaard, Marthe Walvoort

Version 1 posted 18 March 2021

461

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Inorganic Chemistry

Working Paper

The Ferric-superoxo Intermediate of the TxtE Nitration Pathway Resists Reduction, Facilitating Its Reaction with Nitric Oxide

Christopher Martin, Manyun Chen, Maria Martinez, Rosemary Loria, Yousong Ding, Jonathan Caranto

Version 2 posted 22 June 2021

524

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Refine Search

36 results in Maria Martin in Authors: Maria Martin

Graph neural networks and molecular docking as two complementary approaches for virtual screening: a case study on Cruzain

Morin loaded mesoporous molecular sieves as novel devices to the potential treatment of tumor pathologies

Roles of the tyrosine diiron ligand of a mycobacterial hemerythrin-like protein on spectroscopic and redox properties, and catalase and nitric oxide reactivities

X-ray induced ultrafast charge transfer in thiophene-based conjugated polymers controlled by core-hole clock spectroscopy

Synthesis and reactivity of air stable Ni(II) complexes with isocyanides and dialkyldithiophosphate ligands: alkyl transfer and acyclic diaminocarbene formation

Oxidation state dependent conjugation controls electrocatalytic activity in a two-dimensional di-copper metal-organic framework

Activating [FeFe] hydrogenase mimic for hydrogen evolution under visible light

Sol-Gel Processing of a Covalent Organic Framework for the Generation of Hierarchically Porous Monolithic Adsorbents

Site-Selective Palladium-Catalyzed Oxidation of Glucose in Glycopeptides

The Ferric-superoxo Intermediate of the TxtE Nitration Pathway Resists Reduction, Facilitating Its Reaction with Nitric Oxide

36 results in Authors: Maria Martin