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Nucleic Acids Research, ISSN 0305-1048, 2006, Volume 34, Issue 13, pp. 3698 - 3707
Journal Article
PLoS ONE, ISSN 1932-6203, 05/2016, Volume 11, Issue 5, p. e0155183
Journal Article
Bioorganic & Medicinal Chemistry, ISSN 0968-0896, 2008, Volume 16, Issue 20, pp. 9378 - 9382
We describe here the use of a new set of empirical scoring functions to assess ligand-binding affinities. This figure illustrates one of the complex used in... 
Protein–ligand | Virtual screening | Docking | Empirical scoring functions | Protein-ligand | empirical scoring functions | docking | COMPLEX | CHEMISTRY, MEDICINAL | PROTEIN | virtual screening | BIOCHEMISTRY & MOLECULAR BIOLOGY | protein-ligand | SITES | CHEMISTRY, ORGANIC | FREE-ENERGY | PREDICTION | Ligands | Hydrogen Bonding | Models, Biological | Surface Properties | Empirical Research
Journal Article
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, ISSN 0920-654X, 09/1997, Volume 11, Issue 5, pp. 425 - 445
Journal Article
Molecular Informatics, ISSN 1868-1743, 06/2015, Volume 34, Issue 6‐7, pp. 404 - 416
Halogen bonding (XB) is a new promising interaction pattern in medicinal chemistry. It has predominantly electrostatic nature – high electrostatic potential... 
Electrostatic interactions | Halogen bonding | Drug design | Molecular modelling | QSAR | EQUALIZATION | CHEMISTRY, MEDICINAL | SIMULATION | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | RESONANCE | ELECTRONEGATIVITY | MATHEMATICAL & COMPUTATIONAL BIOLOGY | FORCE-FIELD | DERIVING ATOMIC CHARGES | Halogens - chemistry | Molecular Docking Simulation
Journal Article
Current Protein and Peptide Science, ISSN 1389-2037, 10/2006, Volume 7, Issue 5, pp. 421 - 435
Journal Article
Archives of Biochemistry and Biophysics, ISSN 0003-9861, 2008, Volume 479, Issue 1, pp. 28 - 38
Journal Article
Journal Article