MolDock: a new technique for high-accuracy molecular docking.

By René Thomsen, M. H. Christensen. 2006

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DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking (2022, background): “Instead, maximizing the expected proportion of predictions with RMSD ϵ corresponds to maximizing the likelihood of the true structure under the model’s output distribution, in the limit as ϵ goes to 0.”
Protein-ligand docking in the new millennium--a retrospective of 10 years in the field. (2013, methodology): “MolDock is a docking program developed by Thomsen & Christensen, in Denmark, that is included in the Molegro Virtual Docker package, commercialized by Molegro Aps [164].”
Virtual screening strategies in drug discovery: a critical review. (2013, background): “Virtual Docker [61] No http://www.”
Key Topics in Molecular Docking for Drug Design (2019, methodology): “Molegro/MolDock Differential Evolution (Alternatively Simplex Evolution and Iterated Simplex) Semiempirical Commercial Thomsen, 2006 [9]”
Advances and Challenges in Protein-Ligand Docking (2010, methodology): “GOLD [65,66], AutoDock [28], DIVALI [67], DARWIN [68], MolDock [69], PSI-DOCK [70], FLIPDock [42], Lead finder [71], and EADock [72] are the examples that have implemented evolution algorithms.”
Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go (2008, background): “, 2004) N/A IC MCDOCK (Liu and Wang, 1999) N/A MC MolDock (Thomsen and Christensen, 2006) N/A DE MVP N/A N/A IC PatchDOCK (Schneidman-Duhovny et al.”