Concepedia

Structure-based drug design using GPCR homology modeling: Toward the discovery of novel selective CysLT2 antagonists

Xiaowu Dong, Yanmei Zhao, Xueqin Huang, Ka-Na Lin, Jianzhong Chen, Er-Qing Wei, Tao Liu, Yongzhou Hu

European Journal of Medicinal Chemistry · 2013 · 18 citations · 35 references

Open access

Concepts

PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryMolecular PharmacologyComputational Drug DiscoveryLigand BindingMolecular DockingMolecular ModelingProtein-ligand DockingReceptor ModelingG Protein-coupled Receptor ModelingHomology Modeling Of ReceptorsPharmacophore Model ConstructionStructure-activity Relationship ModelingStructure-based Lead DiscoveryStructure-based Ligand Design

References

35

A simple method for displaying the hydropathic character of a protein

Jack Kyte, Russell F. Doolittle · Journal of Molecular Biology · 1982 · 23.1K citations

Life Sciences, Biochemistry, Molecular Biology +12

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

Natural Sciences, Chemistry, Biomolecular Modeling +13

Crystal Structure of Rhodopsin: A G Protein-Coupled Receptor

Krzysztof Palczewski, Takashi Kumasaka, Tetsuya Hori et al. · Science · 2000 · 5.6K citations

Life Sciences, Biochemistry, Biophysics +16

The G-Protein-Coupled Receptors in the Human Genome Form Five Main Families. Phylogenetic Analysis, Paralogon Groups, and Fingerprints

Robert Fredriksson, Malin C. Lagerström, Lars‐Gustav Lundin et al. · Molecular Pharmacology · 2003 · 2.9K citations

Life Sciences, Genetics, Molecular Biology +13

Automated Builder and Database of Protein/Membrane Complexes for Molecular Dynamics Simulations

Sunhwan Jo, Taehoon Kim, Wonpil Im · PLoS ONE · 2007 · 1.3K citations · Full text

Life Sciences, Biochemistry, Biophysics +17