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TITLE: In Silico Modeling and Structural Analysis of Soluble Epoxide Hydrolase Inhibitors for Enhanced Therapeutic Design
AUTHORS: Sar, Shuvam; Mitra, Soumya; Panda, Parthasarathi; Mandal, Subhash C.; Ghosh, Nilanjan; Halder, Amit Kumar ; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2023, SOURCE: MOLECULES, VOLUME: 28, ISSUE: 17
INDEXED IN: Scopus WOS CrossRef: 13
33
TITLE: Molecular simulations of interfacial systems: challenges, applications and future perspectives  Full Text
AUTHORS: Lbadaoui Darvas, M; Garberoglio, G; Karadima, KS; Cordeiro, MNDS ; Nenes, A; Takahama, S;
PUBLISHED: 2023, SOURCE: MOLECULAR SIMULATION, VOLUME: 49, ISSUE: 12
INDEXED IN: Scopus WOS CrossRef: 28
34
TITLE: MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug-Enzyme Interactions  Full Text
AUTHORS: Concu, Riccardo ; Cordeiro, Maria Natalia Dias Soeiro ; Perez Perez, Martin; Fdez Riverola, Florentino;
PUBLISHED: 2023, SOURCE: MOLECULES, VOLUME: 28, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 3
35
TITLE: Multi-model in silico characterization of 3-benzamidobenzoic acid derivatives as partial agonists of Farnesoid X receptor in the management of NAFLD
AUTHORS: Mitra, Soumya; Halder, Amit Kumar ; Ghosh, Nilanjan; Mandal, Subhash C.; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2023, SOURCE: COMPUTERS IN BIOLOGY AND MEDICINE, VOLUME: 157
INDEXED IN: Scopus WOS CrossRef: 8
36
TITLE: Optimizing drug discovery using multitasking models for quantitative structure-biological effect relationships: an update of the literature
AUTHORS: Kleandrova, Valeria V.; Cordeiro, M. Natalia D. S. ; Speck Planche, Alejandro;
PUBLISHED: 2023, SOURCE: EXPERT OPINION ON DRUG DISCOVERY, VOLUME: 18, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 12
39
TITLE: Probing the local structures of Choline-Glycine Electrolytes: Insights from ab initio simulations
AUTHORS: Malaspina, Thaciana; V. Voroshylova, Iuliia ; Cordeiro, M. Natalia D. S. ; Fileti, Eudes Eterno;
PUBLISHED: 2023, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 390
INDEXED IN: Scopus WOS CrossRef: 9
40
TITLE: SMILES-Based Bioactivity Descriptors to Model the Anti-dengue Virus Activity: A Case Study
AUTHORS: Mitra, S; Nandi, S; Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2023, SOURCE: Challenges and Advances in Computational Chemistry and Physics, VOLUME: 33
INDEXED IN: Scopus CrossRef
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