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Synthetic routes and chemical structural analysis for guiding the strategies on new Pt(ii) metallodrug design

2024 . Aguilar Rico, Francisco | derogar, maryam | Cubo Martin, Leticia | Gomez Quiroga, Adoracion

Identification of SARS-CoV-2 Mpro inhibitors through deep reinforcement learning for de novo drug design and computational chemistry approaches†

2024 . Hazemann, Julien | Kimmerlin, Thierry | Lange, Roland | Mac Sweeney, Aengus | Bourquin, Geoffroy | Ritz, Daniel | Czodrowski, Paul

Targeting caveolae to pump bispecific antibody to TGF-β into diseased lungs enables ultra-low dose therapeutic efficacy

2022 . KADAM, ANIL HARI | Kandasamy, Kathirvel | Buss, Tim | Cederstrom, Brittany | Yang, Chun | Narayanapillai, Sreekanth | Rodriguez, Juan | Levin, Michael D. | Koziol, Jim | Olenyuk, Bogdan | Borok, Zea | Chrastina, Adrian | Schnitzer, Jan

AI-Based Drug Discovery of TKIs Targeting L858R/T790M/C797S-Mutant EGFR in Non-small Cell Lung Cancer

2021 . Choi, Geunho | Kim, Daegeun | Oh, Junehwan

Virtual Screening of Natural Products against Type II Transmembrane Serine Protease (TMPRSS2), the Priming Agent of Coronavirus 2 (SARS-CoV-2)

2020 . Rahman, Noor | Basharat, Zarrin | Yousuf , Muhammad | Castaldo, Giuseppe | Rastrelli, Luca | Khan, Prof. Dr. Haroon

Immune biological rationales for the design of combined radio- and immunotherapies

2020 . Hader, Michael | Frey, Benjamin | Fietkau, Rainer | Hecht, Markus | Gaipl, Udo

Design and evaluation of bi-functional iron chelators for protection of dopaminergic neurons from toxicants

2020 . Gutbier, Simon | Kyriakou, Sotiris | Schildknecht, Stefan | Ückert, Anna-Katharina | Brüll, Markus | Lewis, Frank | Dickens, David | Pearson, Liam | Elson, Joanna L. | Michel, Sylvia | Hubscher-Bruder, Véronique | Brandel, Jeremy | Tetard, David | Leist, Marcel | Pienaar, Ilse S.

Exploring the RNA-Recognition Mechanism Using Supervised Molecular Dynamics (SuMD) Simulations: Toward a Rational Design for Ribonucleic-Targeting Molecules?

2020 . Bissaro, Maicol | Sturlese, Mattia | Moro, Stefano

Crystal structure of SARS-CoV-2 papain-like protease

2020 . Gao, Xiaopan | Qin, Bo | chen, pu | zhu, kaixiang | Hou, Pengjiao | Wojdyla, Justyna | Wang, Meitian | CUI, Sheng

Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design

2020 . Bzówka, Maria | Mitusińska, Karolina | Raczyńska, Agata | Samol, Aleksandra | Tuszynski, Jack | Góra, Artur

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