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COVID Antworten in den wissenschaftlichen Zeitschriften der Welt


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Wiley: Molecular Informatics
  Original Artikel Datum Titel Autoren   Alle Autoren
1 [GO] 2024―Nov―23 The Chemical Space Spanned by Manually Curated Datasets of Natural and Synthetic Compounds with Activities against SARS-CoV-2 Jude Y. Betow, Gemma Turon, Clovis S. Metuge, Simeon Akame, Vanessa A. Shu, Oyere T. Ebob, et al. (+2)
2 [GO] 2024―Jul―08 Ensemble docking based virtual screening of SARS-CoV-2 main protease inhibitors Anastasia D. Fomina, Victoria I. Uvarova, Liubov I. Kozlovskaya, Vladimir A. Palyulin, Dmitry I. Osolodkin, Aydar A. Ishmukhametov
3 [GO] 2023―Okt―14 A community effort in SARS-CoV-2 drug discovery Johannes Schimunek, Philipp Seidl, Katarina Elez, Tim Hempel, Tuan Le, Frank Noé, et al. (+146)
4 [GO] 2023―Aug―17 Development of novel ligands against SARS-CoV-2 M pro enzyme: An in silico and in vitro Study Maryam Hamzeh-Mivehroud, Navid Kaboudi, Nadine Krüger
5 [GO] 2023―Aug―17 A multi-tier computational screening framework to effectively search the mutational space of SARS-CoV-2 receptor binding motif to identify mutants with enhanced ACE2 binding abilities Sandipan Chakraborty, Chiranjeet Saha
6 [GO] 2023―Feb―10 Discovery of natural-derived M pro inhibitors as therapeutic candidates for COVID-19: Structure-based pharmacophore screening combined with QSAR analysis Mohammad A. Khanfar, Nada Salaas, Reem Abumostafa
7 [GO] 2022―Jan―24 Development and evaluation of peptidomimetic compounds against SARS-CoV-2 spike protein: an in silico and in vitro study Omid Zarei, Hannah Kleine-Weber, Markus Hoffmann, Maryam Hamzeh-Mivehroud
8 [GO] 2021―Okt―14 Development of a Novel Pharmacophore Model Guided by the Ensemble of Waters and Small Molecule Fragments Bound to SARS-CoV-2 Main Protease Pawan Kumar, Debasisa Mohanty
9 [GO] 2021―Sep―16 Screening of Clinically Approved and Investigation Drugs as Potential Inhibitors of SARS-CoV-2: A Combined in silico and in vitro Study Serdar Durdagi, Muge Didem Orhan, Busecan Aksoydan, Seyma Calis, Berna Dogan, Kader Sahin, et al. (+3)
10 [GO] 2021―Aug―11 ACE2-Variants Indicate Potential SARS-CoV-2-Susceptibility in Animals: A Molecular Dynamics Study Szymon Pach, Trung Ngoc Nguyen, Jakob Trimpert, Dusan Kunec, Nikolaus Osterrieder, Gerhard Wolber
11 [GO] 2021―Mai―21 In silico Studies on the Interaction Between Mpro and PLpro From SARS-CoV-2 and Ebselen, its Metabolites and Derivatives Pablo Andrei Nogara, Folorunsho Bright Omage, Gustavo Roni Bolzan, Cássia Pereira Delgado, Michael Aschner, Laura Orian, João Batista Teixeira Rocha
12 [GO] 2021―Apr―27 Targeting SARS-CoV-2 Spike Protein/ACE2 Protein-Protein Interactions: a Computational Study Davide Pirolli, Benedetta Righino, Maria Cristina De Rosa
13 [GO] 2021―Mrz―31 An Integrative in Silico Drug Repurposing Approach for Identification of Potential Inhibitors of SARS-CoV-2 Main Protease Nemanja Djokovic, Dusan Ruzic, Teodora Djikic, Sandra Cvijic, Jelisaveta Ignjatovic, Svetlana Ibric, et al. (+5)
14 [GO] 2020―Aug―04 Insights on 3D Structures of Potential Drug-Targeting Proteins of SARS-CoV-2: Application of Cavity Search and Molecular Docking Favero Reisdorfer Paula, Mariana Sabo Fernandes, Francielly Silva da Silva, Ana Carolina Silva Grillo Freitas, Eduardo Borges de Melo, Gustavo Henrique Goulart Trossini
15 [GO] 2020―Jul―29 In silico Drug Repurposing for COVID-19: Targeting SARS-CoV-2 Proteins through Docking and Consensus Ranking Claudio Cavasotto, Juan Di Filippo
16 [GO] 2020―Jul―29 QSAR modeling of SARS-CoV Mpro inhibitors identifies Sufugolix, Cenicriviroc, Proglumetacin and other drugs as candidates for repurposing against SARS-CoV-2 Vinicius Alves, Tesia Bobrowski, Cleber Melo-Filho, Daniel Korn, Scott Auerbach, Charles Schmitt, et al. (+2)
17 [GO] 2020―Jul―28 A Computational Approach to Identify Potential Novel Inhibitors against the Coronavirus SARS-CoV-2 Verena Battisti, Oliver Wieder, Arthur Garon, Thomas Seidel, Ernst Urban, Thierry Langer
18 [GO] 2020―Mrz―12 Rapid Identification of Potential Inhibitors of SARS-CoV-2 Main Protease by Deep Docking of 1.3 Billion Compounds Anh-Tien Ton, Francesco Gentile, Michael Hsing, Fuqiang Ban, Artem Cherkasov
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