Molecular modeling approach combining quantum-polarized ligand docking (QPLD), MM/GBSA free-energy calculation and 3D-QSAR analysis was used to evaluate 24 compounds as dual AT 1 and ET A receptor ...
In a recent study published in Molecular Systems Biology, researchers demonstrated that advances in modeling protein-ligand interactions using machine learning-based approaches are needed to exploit ...
Mathematics of Computation, Vol. 33, No. 146 (Apr., 1979), pp. 765-777 (13 pages) A Monte Carlo technique for Knudsen flow, light transmission in tubes, the flow of cold neutrons, phonon transmission, ...
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