Drug Discovery Softwares

2D/3D QSAR with a large selection of fingerprint options, Shape-based screening, with or without atom properties, Ligand-based pharmacophore modelling, e-Pharmacophore modeling incorporating ligand-receptor interaction energies, Flexible ligand docking with industry-leading Glide, Free energy perturbation (FEP) theory, Linear interaction approximation (LIA), Covalent docking, 2D ligand interaction diagrams, High-performance QM calculations, in gas phase and in solution, MM/MD simulations, with implicit or explicit solvent,

2D/3D QSAR with a large selection of fingerprint options, Shape-based screening, with or without atom properties, Ligand-based pharmacophore modelling, e-Pharmacophore modeling incorporating ligand-receptor interaction energies, Flexible ligand docking with industry-leading Glide, Free energy perturbation (FEP) theory, Linear interaction approximation (LIA), Covalent docking, 2D ligand interaction diagrams, High-performance QM calculations, in gas phase and in solution, MM/MD simulations, with implicit or explicit solvent, Small molecule and macromolecular conformational analyses, Mixed-mode QM/MM calculations for ground state and reactivity studies

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