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TITLE: Synthesis and the In Vitro Evaluation of Antitumor Activity of Novel Thiobenzanilides Full Text
AUTHORS: Alvaro Martins, Maria Joao; Railean, Violeta; Martins, Filomena; Machuqueiro, Miguel ; Pacheco, Rita; Santos, Susana ;
PUBLISHED: 2023, SOURCE: MOLECULES, VOLUME: 28, ISSUE: 4

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TITLE: The World of GPCR dimers - Mapping dopamine receptor D2 homodimers in different activation states and configuration arrangements
AUTHORS: Bueschbell, Beatriz; Magalhaes, Pedro R.; Barreto, Carlos A. V.; Melo, Rita; Schiedel, Anke C.; Machuqueiro, Miguel ; Moreira, Irina S.;
PUBLISHED: 2023, SOURCE: COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, VOLUME: 21

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TITLE: A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven pK(a) Predictions in Proteins
AUTHORS: Reis, Pedro B. P. S.; Bertolini, Marco; Montanari, Floriane; Rocchia, Walter; Machuqueiro, Miguel ; Clevert, Djork Arne;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 18, ISSUE: 8

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TITLE: Arrestin and G Protein Interactions with GPCRs: A Structural Perspective
AUTHORS: Carlos A.V Barreto; Salete J Baptista; Beatriz Bueschbell; Pedro R Magalhães; António J Preto; Agostinho Lemos; Nícia Rosário‐Ferreira; Anke C Schiedel; Miguel Machuqueiro ; Rita Melo; Irina S Moreira;
PUBLISHED: 2022, SOURCE: GPCRs as Therapeutic Targets

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TITLE: Extending the Stochastic Titration CpHMD to CHARMM36m
AUTHORS: Sequeira, Joao G. N.; Rodrigues, Filipe E. P.; Silva, Telmo G. D.; Reis, Pedro B. P. S.; Machuqueiro, Miguel ;
PUBLISHED: 2022, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 126, ISSUE: 40

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TITLE: In Silico Characterization of African Swine Fever Virus Nucleoprotein p10 Interaction with DNA
AUTHORS: Istrate, Claudia ; Marques, Jessica; Bule, Pedro; Correia, Silvia; Aires da Silva, Frederico; Duarte, Marlene; Reis, Ana Luisa ; Machuqueiro, Miguel ; Leitao, Alexandre ; Victor, Bruno L.;
PUBLISHED: 2022, SOURCE: VIRUSES-BASEL, VOLUME: 14, ISSUE: 11

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TITLE: Increasing the Realism of in Silico pHLIP Peptide Models with a Novel pH Gradient CpHMD Method
AUTHORS: Silva, Tomas F. D.; Vila Vicosa, Diogo; Machuqueiro, Miguel ;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 18, ISSUE: 11

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TITLE: Key Factors for Activated Carbon Adsorption of Pharmaceutical Compounds from Wastewaters: A Multivariate Modelling Approach Full Text
AUTHORS: Viegas, RMC; Mestre, AS ; Mesquita, E; Machuqueiro, M ; Andrade, MA; Carvalho, AP ; Rosa, MJ;
PUBLISHED: 2022, SOURCE: WATER, VOLUME: 14, ISSUE: 2

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TITLE: Multiplexed cellular profiling identifies an organoselenium compound as an inhibitor of CRM1-mediated nuclear export Full Text
AUTHORS: Jimenez, Lucia; Mayoral Varo, Victor; Amenabar, Carlos; Ortega, Judit; Sequeira, Joao G. N.; Machuqueiro, Miguel ; Mourato, Cristiana; Silvestri, Romano; Angeli, Andrea; Carta, Fabrizio; Supuran, Claudiu T.; Megias, Diego; Ferreira, Bibiana I. I.; Link, Wolfgang ;
PUBLISHED: 2022, SOURCE: TRAFFIC, VOLUME: 23, ISSUE: 12

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