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Journal of Chemical Information and Modeling, ISSN 1549-9596, 06/2016, Volume 56, Issue 6, pp. 1078 - 1087
Journal Article
Drug Discovery Today, ISSN 1359-6446, 2006, Volume 11, Issue 13, pp. 580 - 594
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 06/2004, Volume 47, Issue 12, pp. 3032 - 3047
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 10/2006, Volume 49, Issue 21, pp. 6177 - 6196
A novel scoring function to estimate protein-ligand binding affinities has been developed and implemented as the Glide 4.0 XP scoring function and docking... 
CHEMISTRY, MEDICINAL | COLLAPSE | DATABASE | ACCURATE DOCKING | BINDING AFFINITIES | LIQUID WATER | MOLECULAR DOCKING | SALT-BRIDGES | FREE-ENERGY | FLEXIBLE DOCKING | GENETIC ALGORITHM | Algorithms | Hydrogen Bonding | Metals - chemistry | Water - chemistry | Models, Molecular | Ligands | Entropy | Proteins - chemistry | Binding Sites | Quantitative Structure-Activity Relationship
Journal Article
Journal of Medicinal Chemistry, ISSN 0022-2623, 01/2006, Volume 49, Issue 2, pp. 534 - 553
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 12/2013, Volume 9, Issue 12, pp. 5734 - 5744
Steric demands of a ligand can be quantified by the area occluded by the ligand on the surface of an encompassing sphere centered at the metal atom. When... 
CONFORMATIONALLY FLEXIBLE LIGANDS | PHOSPHORUS LIGANDS | DIPHOSPHINE LIGANDS | MOLECULAR MECHANICS MODEL | ORGANOMETALLIC CHEMISTRY | BIDENTATE LIGANDS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | X-RAY | CHEMISTRY, PHYSICAL | HOMOGENEOUS CATALYSIS | BITE ANGLE | RAY STRUCTURAL DATA
Journal Article
Inorganica Chimica Acta, ISSN 0020-1693, 08/2013, Volume 405, pp. 58 - 64
Four new metal–organic complexes constructed from bis(benzimidazole)-based ligands with different flexibility and organic carboxylates co-ligands have been... 
Metal–organic complex | Fluorescence property | Flexible/semi-rigid | Bis(benzimidazole)-based ligand | Electrochemical property | Metal-organic complex | CRYSTAL-STRUCTURES | LENGTHS | NETWORKS | FRAMEWORKS | CHEMISTRY, INORGANIC & NUCLEAR | HELICAL CHAINS | CONSTRUCTION | COORDINATION POLYMERS | CLUSTER
Journal Article