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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
INDEXED IN: Scopus WOS CrossRef: 15
IN MY: ORCID
22
TITLE: Network biology and artificial intelligence drive the understanding of the multidrug resistance phenotype in cancer
AUTHORS: Bueschbell, B; Caniceiro, AB; Suzano, PMS; Machuqueiro, M; Rosario Ferreira, N; Moreira, IS;
PUBLISHED: 2022, SOURCE: DRUG RESISTANCE UPDATES, VOLUME: 60
INDEXED IN: Scopus WOS CrossRef: 18
IN MY: ORCID
23
TITLE: Novel US-CpHMD Protocol to Study the Protonation-Dependent Mechanism of the ATP/ADP Carrier
AUTHORS: Oliveira, Nuno F. B.; Machuqueiro, Miguel;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 62, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 12
IN MY: ORCID
24
TITLE: Commercial Baby Foods Aimed at Children up to 36 Months: Are They a Matter of Concern?
AUTHORS: Santos, Mariana; Matias, Filipa; Loureiro, Isabel; Rito, Ana Isabel; Castanheira, Isabel; Bento, Alexandra; Assuncao, Ricardo;
PUBLISHED: 2022, SOURCE: FOODS, VOLUME: 11, ISSUE: 10
INDEXED IN: WOS
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TITLE: Optimization of an in Silico Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds
AUTHORS: Magalhães, PR; Reis, PBPS; Vila Viçosa, D; Machuqueiro, M; Victor, BL;
PUBLISHED: 2022, SOURCE: Journal of chemical information and modeling, VOLUME: 62, ISSUE: 12
INDEXED IN: Scopus CrossRef: 5
IN MY: ORCID
26
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
INDEXED IN: Scopus WOS CrossRef: 14
IN MY: ORCID
28
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
INDEXED IN: Scopus WOS CrossRef: 6
IN MY: ORCID
29
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
INDEXED IN: Scopus WOS CrossRef: 4
IN MY: ORCID
30
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
INDEXED IN: Scopus WOS CrossRef: 3
IN MY: ORCID
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