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Works matching IS 0920654X AND DT 2023 AND VI 37 AND IP 5/6

Results: 3

1

TargIDe: a machine-learning workflow for target identification of molecules with antibiofilm activity against Pseudomonas aeruginosa.

Published in:

Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 5/6, p. 265, doi. 10.1007/s10822-023-00505-5

By:

Carneiro, João;
Magalhães, Rita P.;
de la Oliva Roque, Victor M.;
Simões, Manuel;
Pratas, Diogo;
Sousa, Sérgio F.

Publication type:

Article

2

Study of SQ109 analogs binding to mycobacterium MmpL3 transporter using MD simulations and alchemical relative binding free energy calculations.

Published in:

Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 5/6, p. 245, doi. 10.1007/s10822-023-00504-6

By:

Stampolaki, Marianna;
Stylianakis, Ioannis;
Zgurskaya, Helen I.;
Kolocouris, Antonios

Publication type:

Article

3

Computational insights into ligand–induced G protein and β-arrestin signaling of the dopamine D1 receptor.

Published in:

Journal of Computer-Aided Molecular Design, 2023, v. 37, n. 5/6, p. 227, doi. 10.1007/s10822-023-00503-7

By:

Li, Haoxi;
Urs, Nikhil M.;
Horenstein, Nicole

Publication type:

Article