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Journal Article 12

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Journal Article

Combining structural and coevolution information to unveil allosteric sites

La Sala, Giuseppina
2023

Chemical science, 14 (2023) 25, S. 7057-7067

“...De Vivo, Marco...”

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Journal Article

Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations

Raghavan, Bharath
2023

Journal of chemical information and modeling, 63 (2023) 12, S. 3647 - 3658

“...De Vivo, Marco...”

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Innovative Non-PrP-Targeted Drug Strategy Designed to Enhance Prion Clearance

Colini Baldeschi, Arianna
2022

Journal of medicinal chemistry, 65 (2022) 13, S. 8998 - 9010

“...De Vivo, Marco...”

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Second-Shell Basic Residues Expand the Two-Metal-Ion Architecture of DNA and RNA Processing Enzymes

Genna, Vito
2018

Structure, 26 (2018) S. 40-50

“...De Vivo, Marco...”

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Pharmacophore Hybridization To Discover Novel Topoisomerase II Poisons with Promising Antiproliferative Activity

Ortega, Jose Antonio
2018

Journal of medicinal chemistry, 61 (2018) 3, S. 1375-1379

“...De Vivo, Marco...”

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Novel Bacterial Topoisomerase Inhibitors Exploit Asp83 and the Intrinsic Flexibility of the DNA Gyrase Binding Site

Franco-Ulloa, Sebastian
2018

International journal of molecular sciences, 19 (2018) 2, S. 453 -

“...De Vivo, Marco...”

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Journal Article

Allosteric Communication Networks in Proteins Revealed through Pocket Crosstalk Analysis

La Sala, Giuseppina
2017

ACS central science, 3 (2017) 9, S. 949 - 960

“...De Vivo, Marco...”

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Pharmacophore Identification and Scaffold Exploration to Discover Novel, Potent, and Chemically Stable Inhibitors of Acid Ceramidase in Melanoma Cells

Ortega, Jose Antonio
2017

Journal of medicinal chemistry, 60 (2017) 13, S. 5800 - 5815

“...De Vivo, Marco...”

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Nanoparticle-Based Receptors Mimic Protein-Ligand Recognition

Riccardi, Laura
2017

Chem, 3 (2017) 1, S. 92 - 109

“...De Vivo, Marco...”

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The Molecular Basis for Dual Fatty Acid Amide Hydrolase (FAAH)/Cyclooxygenase (COX) Inhibition

Palermo, Giulia
2016

ChemMedChem, 11 (2016) 12, S. 1252 - 1258

“...De Vivo, Marco...”

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Cooperative motion of a key positively charged residue and metal ions for DNA replication catalyzed by human DNA Polymerase-η

Genna, Vito
2016

Nucleic acids symposium series, 44 (2016) 6, S. 2827 - 2836

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An optimized polyamine moiety boosts the potency of human type II topoisomerase poisons as quantified by comparative analysis centered on the clinical candidate F14512

Palermo, Giulia
2015

Chemical communications, 51 (2015) 76, S. 14310 - 14313

“...De Vivo, Marco...”

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Open Access Publications database 12

Journal Article 12

De Vivo, Marco 11 La Sala, Giuseppina 5 Riccardi, Laura 3 Arencibia, Jose M. 2 Borgogno, Marco 2 Carloni, Paolo 2 more ... Convertino, Marino 2 Genna, Vito 2 Minarini, Anna 2 Minniti, Elirosa 2 Ortega, Jose Antonio 2 Palermo, Giulia 2 Sissi, Claudia 2 Ahmad, Katya 1 Armirotti, Andrea 1 Bauer, Inga 1 Bertorelli, Rosalia 1 Bertozzi, Sine Mandrup 1 Bolognesi, Maria Laura 1 Bonati, Laura 1 Bono, Luca 1 Braccia, Clarissa 1 Böhm, Kerstin 1 Callea, Lara 1 Colini Baldeschi, Arianna 1 Colombo, Matteo 1 Dal Peraro, Matteo 1 De Biasi, Federico 1 Decherchi, Sergio 1 De Vivo, Marco 1 see all ... less ...

ohne Topic 5 Theory, modelling and simulation 4 Molecular Information Processing in Cellular Systems 2 Biological and environmental resources for sustainable use 1 Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups 1 Forschergruppe Gohlke 1

Computational Biomedicine; IAS-5 11 Computational Biomedicine; INM-9 11 Bioinformatik; IBG-4 1 John von Neumann - Institut für Computing; NIC 1 Jülich Supercomputing Center; JSC 1 Strukturbiochemie; IBI-7 1

2017 4 2018 3 2023 2 2016 1 2022 1

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