81
TITLE: Modelling Enzymatic Mechanisms with QM/MM Approaches: Current Status and Future Challenges  Full Text
AUTHORS: Magalhaes, RP; Fernandes, HS ; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: ISRAEL JOURNAL OF CHEMISTRY, VOLUME: 60, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef: 39
84
TITLE: The Biofilms Structural Database  Full Text
AUTHORS: Rita P Magalhaes; Tatiana F Vieira; Henrique S Fernandes ; Andre Melo ; Manuel Simoes ; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: TRENDS IN BIOTECHNOLOGY, VOLUME: 38, ISSUE: 9
INDEXED IN: Scopus WOS CrossRef: 23
85
TITLE: Comparing AutoDock and Vina in Ligand/Decoy Discrimination for Virtual Screening
AUTHORS: Vieira, TF; Sérgio F. Sousa ;
PUBLISHED: 2019, SOURCE: APPLIED SCIENCES-BASEL, VOLUME: 9, ISSUE: 21
INDEXED IN: Scopus WOS CrossRef: 75
86
TITLE: Evaluation of Scoring Functions for Large Scale Application of Virtual Screening in the Identification of Novel Beta-Lactamase Inhibitors
AUTHORS: Vieira, TF; Magalhaes, RP; Cerqueira, NMFSA ; Sérgio F. Sousa ;
PUBLISHED: 2019, SOURCE: 6th IEEE Portuguese Meeting on Bioengineering (ENBENG) in 2019 6TH IEEE PORTUGUESE MEETING IN BIOENGINEERING (ENBENG)
INDEXED IN: Scopus WOS CrossRef
89
TITLE: Molecular dynamic simulations and QM/MM studies addressed to build an active Tryptophan Synthase model. A critical enzyme to treat tuberculosis
AUTHORS: Teixeira, CSS; Sérgio F. Sousa ; Cerqueira, NMFSA ;
PUBLISHED: 2019, SOURCE: 6th IEEE Portuguese Meeting on Bioengineering (ENBENG) in 2019 6TH IEEE PORTUGUESE MEETING IN BIOENGINEERING (ENBENG)
INDEXED IN: Scopus WOS CrossRef
90
TITLE: PLP-dependent enzymes as important biocatalysts for the pharmaceutical, chemical and food industries: a structural and mechanistic perspective
AUTHORS: Rocha, JF; Pina, AF; Sérgio F. Sousa ; Cerqueira, NMFSA ;
PUBLISHED: 2019, SOURCE: CATALYSIS SCIENCE & TECHNOLOGY, VOLUME: 9, ISSUE: 18
INDEXED IN: Scopus WOS CrossRef: 61
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