Robert Soliva
University of Barcelona
37 Papers
333 Citations
Robert Soliva is an academic researcher from University of Barcelona. The author has contributed to research in topics: Binding site & Docking (molecular). The author has an hindex of 16, co-authored 30 publications. Previous affiliations of Robert Soliva include Barcelona Supercomputing Center & University of Nottingham.
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Papers
Synthesis and Structure−Activity Relationship of a New Series of COX-2 Selective Inhibitors: 1,5-Diarylimidazoles
Carmen Almansa,José Alfón,Alberto Fernández de Arriba,F. L. Cavalcanti,Ignasi Escamilla,L. A. Gomez,Agusti Miralles,Robert Soliva,Javier Bartroli,Elena Carceller,Manuel Merlos,Julian Garcia-Rafanell +11 more
TL;DR: Modification of all the positions of two regioisomeric imidazole cores led to the identification of 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide (UR-8880, 51f) as the best candidate, which is now undergoing Phase I clinical trials.
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Molecular Dynamics Studies of DNA A-Tract Structure and Flexibility
TL;DR: In this paper, principal component analysis was used to compare the structure and dynamics of three A-tract-containing DNA dodecamer sequences, where M = 5-methylcytosine.
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Molecular Dynamics Simulations of PNA·DNA and PNA·RNA Duplexes in Aqueous Solution
TL;DR: Analysis of the trajectories shows that the PNA backbone is very flexible provided that the backbone movements do not alter the positioning of the bases and that PNA is able to distort the struc...
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Molecular Dynamics Simulations in Aqueous Solution of Triple Helices Containing d(G·C·C) Trios
TL;DR: In this article, the stability of triplexes where the Hoogsteen cytosine is protonated is compared with that where the same base is present as the neutral imino tautomer.
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Theoretical studies on the inhibition mechanism of cyclooxygenase-2. Is there a unique recognition site?
TL;DR: The mechanism of binding of different nonsteroidal anti-inflammatory drugs to the cyclooxygenase active site of COX-2 has been studied by means of a wide range of theoretical techniques including molecular dynamics and free energy calculations and it is found that theoretical methods predict accurately thebinding of different drugs based on different scaffolds.
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