Concepedia

Synthesis, in vitro evaluation and molecular docking of a new class of indolylpropyl benzamidopiperazines as dual AChE and SERT ligands for Alzheimer’s disease

Julio Rodríguez-Lavado, Carlos Gallardo‐Garrido, Michael Mallea, Victor Bustos, Rodrigo Osorio, Martín Hödar-Salazar, Hery Chung, Ramiro Araya‐Maturana, Marcos Lorca, C. David Pessoa‐Mahana,

European Journal of Medicinal Chemistry · 2020 · 28 citations · 52 references

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52

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 64.1K citations

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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 35.1K citations · Full text

Extra Precision Glide:  Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

Richard A. Friesner, Robert B. Murphy, Matthew P. Repasky et al. · Journal of Medicinal Chemistry · 2006 · 6.7K citations

Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects

Woody Sherman, Tyler Day, Matthew P. Jacobson et al. · Journal of Medicinal Chemistry · 2005 · 2K citations

On the Role of the Crystal Environment in Determining Protein Side-chain Conformations

Matthew P. Jacobson, Richard A. Friesner, Zhexin Xiang et al. · Journal of Molecular Biology · 2002 · 1.3K citations

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