Publications by authors named "Raphael Klein"

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A Benchmark Set of Bioactive Molecules for Diversity Analysis of Compound Libraries and Combinatorial Chemical Spaces.
Alexander Neumann, Raphael Klein

J Chem Inf Model· September 2025

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Correction: SAVI Space-combinatorial encoding of the billion-size synthetically accessible virtual inventory.
Malte Korn, Philip Judson, Raphael Klein, Christian Lemmen, Marc C Nicklaus

Sci Data· July 2025

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SAVI Space-combinatorial encoding of the billion-size synthetically accessible virtual inventory.
Malte Korn, Philip Judson, Raphael Klein, Christian Lemmen, Marc C Nicklaus

Sci Data· June 2025

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Prostaglandin E/Leukotriene B balance and viral load in distinct clinical stages of COVID-19: A cross-sectional study.
Larisse Ricardo Gadelha, Maria Juliana Bezerra Costa, João Paulo Alecrim de Abreu, Larissa Paola Rodrigues Venancio, Mary Hellen Fabres-Klein, Raphael Contelli Klein

Prostaglandins Other Lipid Mediat· June 2024

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CareNet Tyrol - Information System Success Assessment for Case & Care Management Service.
Sabrina B Neururer, Raphael Klein, Bernhard Pfeifer, Gabi Schiessling, Eva Schulc

Stud Health Technol Inform· April 2024

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Relevance of the Trillion-Sized Chemical Space "eXplore" as a Source for Drug Discovery.
Alexander Neumann, Lester Marrison, Raphael Klein

ACS Med Chem Lett· April 2023

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Coagulopathy and the humoral response against viral proteins in patients at different stages of COVID-19.
Fernanda Pereira Monteiro, Victor de Souza Tavares, Rayane da Silva Oliveira Souza, Larissa Paola Rodrigues Venâncio, Mary Hellen Fabres-Klein, Raphael Contelli Klein

Mem Inst Oswaldo Cruz· January 2023

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Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
Janis Müller, Raphael Klein, Olga Tarkhanova, Anastasiia Gryniukova, Petro Borysko

J Med Chem· December 2022

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Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors.
Paul Beroza, James J Crawford, Oleg Ganichkin, Leo Gendelev, Seth F Harris, Raphael Klein

Nat Commun· October 2022

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Calculating and Optimizing Physicochemical Property Distributions of Large Combinatorial Fragment Spaces.
Louis Bellmann, Raphael Klein, Matthias Rarey

J Chem Inf Model· June 2022

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Maximum Common Substructure Searching in Combinatorial Make-on-Demand Compound Spaces.
Robert Schmidt, Raphael Klein, Matthias Rarey

J Chem Inf Model· May 2022

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Identifying Inconclusive Data in the SARS-CoV-2 Molecular Diagnostic Using Nucleocapsid Phosphoprotein Gene as a Target.
Raphael Contelli Klein, Mary Hellen Fabres Klein, Larissa Gomes Barbosa, Lívia Vasconcelos Gonzaga Knnup, Larissa Paola Rodrigues Venâncio

Arch Pathol Lab Med· March 2022

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An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Ludvik Olai Espeland, Charis Georgiou, Raphael Klein, Hemalatha Bhukya, Bengt Erik Haug

ChemMedChem· September 2021

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Fomites and the environment did not have an important role in COVID-19 transmission in a Brazilian mid-sized city.
Ana Luíza Silva Rocha, Josilene Ramos Pinheiro, Thamilin Costa Nakamura, José Domingos Santos da Silva, Beatriz Gonçalves Silva Rocha, Raphael Contelli Klein

Sci Rep· August 2021

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Modulation of the Serotonergic Receptosome in the Treatment of Anxiety and Depression: A Narrative Review of the Experimental Evidence.
Gustavo R Villas-Boas, Stefânia N Lavorato, Marina M Paes, Pablinny M G de Carvalho, Vanessa C Rescia, Raphael C Klein, Mary H F Klein

Pharmaceuticals (Basel)· February 2021

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Targeting the Class A Carbapenemase GES-5 via Virtual Screening.
Raphael Klein, Laura Cendron, Martina Montanari, Pierangelo Bellio, Giuseppe Celenza

Biomolecules· February 2020

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Carbohydrate-independent antibiofilm effect of Bothrops jararacussu lectin BJcuL on Staphylococcus aureus.
Ananda Pereira Aguilar, Thiago Souza Onofre, Mary Hellen Fabres-Klein, Raphael Contelli Klein, Renato Neves Feio

Microb Pathog· December 2019

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In silico identification and experimental validation of hits active against KPC-2 β-lactamase.
Raphael Klein, Pasquale Linciano, Giuseppe Celenza, Pierangelo Bellio, Sofia Papaioannou

PLoS One· April 2019

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Effect of Malt-Derived Potential Antioxidants on Dimethyl Sulfide Oxidation.
Matthias Baldus, Sarah Majetschak, Daniel Hass, Raphael Klein, Thomas Kunz

J Agric Food Chem· October 2018

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The Nothoaspis amazoniensis Complete Mitogenome: A Comparative and Phylogenetic Analysis.
Paulo H C Lima, Pedro M P Vidigal, Rafael M Barcelos, Raphael C Klein, Carlos E Montandon, Mary H Fabres-Klein

Vet Sci· March 2018

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Sequencing and comparative analysis of the Amblyomma sculptum mitogenome.
Paulo Henrique Costa de Lima, Rafael Mazioli Barcelos, Raphael Contelli Klein, Pedro Marcus Pereira Vidigal, Carlos Emmanuel Montandon, Mary Hellen Fabres-Klein

Vet Parasitol· November 2017

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A deep insight into the whole transcriptome of midguts, ovaries and salivary glands of the Amblyomma sculptum tick.
Higo Nasser Santanna Moreira, Rafael Mazioli Barcelos, Pedro Marcus Pereira Vidigal, Raphael Contelli Klein, Carlos Emmanuel Montandon

Parasitol Int· April 2017

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Erratum for Silva et al., Draft Genome Sequences of Staphylococcus aureus Strains Isolated from Subclinical Bovine Mastitis in Brazil.
Danielle Mendes Silva, Mônica Pacheco da Silva, Pedro M Pereira Vidigal, Rafael Mazioli Barcelos, Raphael Contelli Klein, Mary Hellen Fabres-Klein

Genome Announc· April 2016

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Draft Genome Sequences of Staphylococcus aureus Strains Isolated from Subclinical Bovine Mastitis in Brazil.
Danielle Mendes Silva, Mônica Pacheco da Silva, Pedro M Pereira Vidigal, Rafael Mazioli Barcelos, Raphael Contelli Klein, Mary Hellen Fabres-Klein

Genome Announc· February 2016

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Concomitant Benznidazole and Suramin Chemotherapy in Mice Infected with a Virulent Strain of Trypanosoma cruzi.
Eliziária C Santos, Rômulo D Novaes, Marli C Cupertino, Daniel S S Bastos, Raphael C Klein

Antimicrob Agents Chemother· October 2015

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