- Computational analysis of ligand recognition sites of homo- and heteropentameric 5-HT(3) receptors.
- Molecular docking and 3D-QSAR studies on beta-phenylalanine derivatives as dipeptidyl peptidase IV inhibitors.
- Improving performance of docking-based virtual screening by structural filtration.
- Addressing limitations with the MM-GB/SA scoring procedure using the WaterMap method and free energy perturbation calculations.
- Computational Modeling Toward Understanding Agonist Binding on Dopamine 3.
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