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Journal Abstract Search
153 related items for PubMed ID: 18462757
21. Cys(x)His(y)-Zn2+ interactions: possibilities and limitations of a simple pairwise force field. Calimet N, Simonson T. J Mol Graph Model; 2006 Mar; 24(5):404-11. PubMed ID: 16298534 [Abstract] [Full Text] [Related]
22. Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy. Gauto DF, Di Lella S, Guardia CM, Estrin DA, Martí MA. J Phys Chem B; 2009 Jun 25; 113(25):8717-24. PubMed ID: 19485380 [Abstract] [Full Text] [Related]
23. Screening of the active site from water by the incoming ligand triggers catalysis and inhibition in serine proteases. Shokhen M, Khazanov N, Albeck A. Proteins; 2008 Mar 25; 70(4):1578-87. PubMed ID: 17912756 [Abstract] [Full Text] [Related]
25. Including tightly-bound water molecules in de novo drug design. Exemplification through the in silico generation of poly(ADP-ribose)polymerase ligands. García-Sosa AT, Firth-Clark S, Mancera RL. J Chem Inf Model; 2005 Mar 25; 45(3):624-33. PubMed ID: 15921452 [Abstract] [Full Text] [Related]
26. Ligand mapping on protein surfaces by the 3D-RISM theory: toward computational fragment-based drug design. Imai T, Oda K, Kovalenko A, Hirata F, Kidera A. J Am Chem Soc; 2009 Sep 02; 131(34):12430-40. PubMed ID: 19655800 [Abstract] [Full Text] [Related]
35. Comprehensive structural classification of ligand-binding motifs in proteins. Kinjo AR, Nakamura H. Structure; 2009 Feb 13; 17(2):234-46. PubMed ID: 19217394 [Abstract] [Full Text] [Related]
36. The carboxylate shift in zinc enzymes: a computational study. Sousa SF, Fernandes PA, Ramos MJ. J Am Chem Soc; 2007 Feb 07; 129(5):1378-85. PubMed ID: 17263422 [Abstract] [Full Text] [Related]
37. A simple and fuzzy method to align and compare druggable ligand-binding sites. Schalon C, Surgand JS, Kellenberger E, Rognan D. Proteins; 2008 Jun 07; 71(4):1755-78. PubMed ID: 18175308 [Abstract] [Full Text] [Related]