Concepedia

Binding mechanism investigations guiding the synthesis of novel condensed 1,4-dihydropyridine derivatives with L-/T-type calcium channel blocking activity

David Schaller, Miyase Gözde Gündüz, Fang Xiong Zhang, Gerald W. Zamponi, Gerhard Wolber

European Journal of Medicinal Chemistry · 2018 · 45 citations · 26 references

Concepts

Derivatives1,4-Dihydropyridine DerivativesOrganic ChemistryChemistryHeterocycle ChemistryMechanism InvestigationsPharmacologySynthetic Chemistry

References

26

VMD: Visual molecular dynamics

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

Engineering, Visual Molecular Dynamics, Molecular Biology +5

The Protein Data Bank

Helen M. Berman · Nucleic Acids Research · 2000 · 38.9K citations

Biological Database, Biochemistry, Structural Bioinformatics +12

Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids

William L. Jorgensen, David S. Maxwell, Julian Tirado‐Rives · Journal of the American Chemical Society · 1996 · 15K citations

Organic Molecules, Engineering, Conformational Energetics +13

UniProt: a hub for protein information

Nucleic Acids Research · 2014 · 5.2K citations · Full text

Genetics, Molecular Biology, Genomics +23

LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters

Gerhard Wolber, Thierry Langer · Journal of Chemical Information and Modeling · 2004 · 1.9K citations