Concepedia
Journal of Molecular Liquids · 2021 · 51 citations · 61 references
PhysicsHirshfeld AnalysisTheoretical InvestigationNatural SciencesPhysicochemical AnalysisAb-initio MethodComputational ChemistryChemistryQuantum ChemistryInteraction Properties
61
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 39.7K citations
Engineering, Electron Diffraction, Computational Chemistry +17
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
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
M Abraham, Teemu J. Murtola, Roland Schulz et al. · SoftwareX · 2015 · 25K citations · Full text
Massively-parallel Computing, Engineering, Computational Biology +12
SWISS‐MODEL and the Swiss‐Pdb Viewer: An environment for comparative protein modeling
Nicolas Guex, Manuel C. Peitsch · Electrophoresis · 1997 · 11.2K citations
Swiss‐pdb Viewer, Engineering, Structural Bioinformatics +18
Hirshfeld surface analysis
Mark A. Spackman, Dylan Jayatilaka · CrystEngComm · 2008 · 7.4K citations