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TITLE: Interfacial Dynamics and Growth Modes of beta(2)-Microglobulin Dimers
AUTHORS: Oliveira, Nuno F. B.; Rodrigues, Filipe E. P.; Vitorino, Joao N. M.; Faisca, Patricia F. N. ; Machuqueiro, Miguel ;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 63, ISSUE: 14
INDEXED IN: Scopus WOS CrossRef: 2
12
TITLE: MembIT - A Tool to Calculate Solute Membrane Insertions and Deformations in Molecular Dynamics Simulations
AUTHORS: Suzano, Pedro M. S.; Pires, Ines D. S.; Silva, Tomas F. D.; Oliveira, Nuno F. B.; Reis, Pedro B. P. S.; Machuqueiro, Miguel ;
PUBLISHED: 2023, SOURCE: JOURNAL OF COMPUTATIONAL BIOPHYSICS AND CHEMISTRY, VOLUME: 22, ISSUE: 05
INDEXED IN: Scopus WOS CrossRef: 2
13
TITLE: Recent advances on molecular dynamics-based techniques to address drug membrane permeability with atomistic detail
AUTHORS: Gomes, Andre M. M.; Costa, Paulo J. ; Machuqueiro, Miguel ;
PUBLISHED: 2023, SOURCE: BBA ADVANCES, VOLUME: 4
INDEXED IN: Scopus WOS CrossRef: 2
14
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
INDEXED IN: Scopus WOS CrossRef
15
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
INDEXED IN: Scopus WOS CrossRef: 1
16
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
17
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
INDEXED IN: CrossRef: 2
18
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
19
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
20
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
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