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Results: 1-25 | 26-29
Results: 1-25/29
Quantum/classical mechanical comparison of cation-pi interactions between tetramethylammonium and benzene
Authors: Felder, C Jiang, HL Zhu, WL Chen, KX Silman, I Botti, SA Sussman, JL
Citation: C. Felder et al., Quantum/classical mechanical comparison of cation-pi interactions between tetramethylammonium and benzene, J PHYS CH A, 105(8), 2001, pp. 1326-1333
Theoretical insight into the interactions of TMA-benzene and TMA-pyrrole with B3LYP density-functional theory (DFT) and ab initio second order Moller-Plesset perturbation theory (MP2) calculations
Authors: Liu, T Gu, JD Tan, XJ Zhu, WL Luo, XM Jiang, HL Ji, RY Chen, KX Silman, I Sussman, JL
Citation: T. Liu et al., Theoretical insight into the interactions of TMA-benzene and TMA-pyrrole with B3LYP density-functional theory (DFT) and ab initio second order Moller-Plesset perturbation theory (MP2) calculations, J PHYS CH A, 105(22), 2001, pp. 5431-5437
Specific protein dynamics near the solvent glass transition assayed by radiation-induced structural changes
Authors: Weik, M Ravelli, RBG Silman, I Sussman, JL Gros, P Kroon, J
Citation: M. Weik et al., Specific protein dynamics near the solvent glass transition assayed by radiation-induced structural changes, PROTEIN SCI, 10(10), 2001, pp. 1953-1961
Histochemical method for characterization of enzyme crystals: application to crystals of Torpedo californica acetylcholinesterase
Authors: Nicolas, A Ferron, F Toker, L Sussman, JL Silman, I
Citation: A. Nicolas et al., Histochemical method for characterization of enzyme crystals: application to crystals of Torpedo californica acetylcholinesterase, ACT CRYST D, 57, 2001, pp. 1348-1350
Solvent behaviour in flash-cooled protein crystals at cryogenic temperatures
Authors: Weik, M Kryger, G Schreurs, AMM Bouma, B Silman, I Sussman, JL Gros, P Kroon, J
Citation: M. Weik et al., Solvent behaviour in flash-cooled protein crystals at cryogenic temperatures, ACT CRYST D, 57, 2001, pp. 566-573
The binding site of acetylcholine receptor as visualized in the X-ray structure of a complex between alpha-bungarotoxin and a mimotope peptide
Authors: Harel, M Kasher, R Nicolas, A Guss, JM Balass, M Fridkin, M Smit, AB Brejc, K Sixma, TK Katchalski-Katzir, E Sussman, JL Fuchs, S
Citation: M. Harel et al., The binding site of acetylcholine receptor as visualized in the X-ray structure of a complex between alpha-bungarotoxin and a mimotope peptide, NEURON, 32(2), 2001, pp. 265-275
A structure-based design approach to the development of novel, reversible AChE inhibitors
Authors: Doucet-Personeni, C Bentley, PD Fletcher, RJ Kinkaid, A Kryger, G Pirard, B Taylor, A Taylor, R Taylor, J Viner, R Silman, I Sussman, JL Greenblatt, HM Lewis, T
Citation: C. Doucet-personeni et al., A structure-based design approach to the development of novel, reversible AChE inhibitors, J MED CHEM, 44(20), 2001, pp. 3203-3215
Noncovalent interaction or chemical bonding between alkaline earth cationsand benzene? A quantum chemistry study using MP2 and density-functional theory methods
Authors: Tan, XJ Zhu, WL Cui, M Luo, XM Gu, JD Silman, I Sussman, JL Jiang, HL Ji, RY Chen, KX
Citation: Xj. Tan et al., Noncovalent interaction or chemical bonding between alkaline earth cationsand benzene? A quantum chemistry study using MP2 and density-functional theory methods, CHEM P LETT, 349(1-2), 2001, pp. 113-122
How does ammonium interact with aromatic groups? A density functional theory (DFT/B3LYP) investigation
Authors: Zhu, WL Tan, XJ Puah, CM Gu, JD Jiang, HL Chen, KX Felder, CE Silman, I Sussman, JL
Citation: Wl. Zhu et al., How does ammonium interact with aromatic groups? A density functional theory (DFT/B3LYP) investigation, J PHYS CH A, 104(42), 2000, pp. 9573-9580
Three-dimensional structures of Drosophila melanogaster acetylcholinesterase and of its complexes with two potent inhibitors
Authors: Harel, M Kryger, G Rosenberry, TL Mallender, WD Lewis, T Fletcher, RJ Guss, JM Silman, I Sussman, JL
Citation: M. Harel et al., Three-dimensional structures of Drosophila melanogaster acetylcholinesterase and of its complexes with two potent inhibitors, PROTEIN SCI, 9(6), 2000, pp. 1063-1072
AutoDep: a web-based system for deposition and validation of macromolecular structural information
Authors: Lin, DW Manning, NO Jiang, JS Abola, EE Stampf, D Prilusky, J Sussman, JL
Citation: Dw. Lin et al., AutoDep: a web-based system for deposition and validation of macromolecular structural information, ACT CRYST D, 56, 2000, pp. 828-841
Structures of recombinant native and E202Q mutant human acetylcholinesterase complexed with the snake-venom toxin fasciculin-II
Authors: Kryger, G Harel, M Giles, K Toker, L Velan, B Lazar, A Kronman, C Barak, D Ariel, N Shafferman, A Silman, I Sussman, JL
Citation: G. Kryger et al., Structures of recombinant native and E202Q mutant human acetylcholinesterase complexed with the snake-venom toxin fasciculin-II, ACT CRYST D, 56, 2000, pp. 1385-1394
Structural studies on vertebrate and invertebrate acetylcholinesterases and their complexes with functional ligands
Authors: Greenblatt, HM Silman, I Sussman, JL
Citation: Hm. Greenblatt et al., Structural studies on vertebrate and invertebrate acetylcholinesterases and their complexes with functional ligands, DRUG DEV R, 50(3-4), 2000, pp. 573-583
Quality control in databanks for molecular biology
Authors: Abola, EE Bairoch, A Barker, WC Beck, S Benson, DA Berman, H Cameron, G Cantor, C Doubet, S Hubbard, TJP Jones, TA Kleywegt, GJ Kolaskar, AS Van Kuik, A Lesk, AM Mewes, HW Neuhaus, D Pfeiffer, G TenEyck, LF Simpson, RJ Stoesser, G Sussman, JL Tateno, Y Tsugita, A Ulrich, EL Vliegenthart, JFG
Citation: Ee. Abola et al., Quality control in databanks for molecular biology, BIOESSAYS, 22(11), 2000, pp. 1024-1034
Specific chemical and structural damage to proteins produced by synchrotron radiation
Authors: Weik, M Ravelli, RBG Kryger, G McSweeney, S Raves, ML Harel, M Gros, P Silman, I Kroon, J Sussman, JL
Citation: M. Weik et al., Specific chemical and structural damage to proteins produced by synchrotron radiation, P NAS US, 97(2), 2000, pp. 623-628
Inactivation studies of acetylcholinesterase with phenylmethylsulfonyl fluoride
Authors: Kraut, D Goff, H Pai, RK Hosea, NA Silman, I Sussman, JL Taylor, P Voet, JG
Citation: D. Kraut et al., Inactivation studies of acetylcholinesterase with phenylmethylsulfonyl fluoride, MOLEC PHARM, 57(6), 2000, pp. 1243-1248
Active-site gorge and buried water molecules in crystal structures of acetylcholinesterase from Torpedo californica
Authors: Koellner, G Kryger, G Millard, CB Silman, I Sussman, JL Steiner, T
Citation: G. Koellner et al., Active-site gorge and buried water molecules in crystal structures of acetylcholinesterase from Torpedo californica, J MOL BIOL, 296(2), 2000, pp. 713-735
Structure of acetylcholinesterase complexed with E2020 (Aricept (R)): implications for the design of new anti-Alzheimer drugs
Authors: Kryger, G Silman, I Sussman, JL
Citation: G. Kryger et al., Structure of acetylcholinesterase complexed with E2020 (Aricept (R)): implications for the design of new anti-Alzheimer drugs, STRUCT F D, 7(3), 1999, pp. 297-307
Deposition of structure factors at the Protein Data Bank
Authors: Jiang, JS Abola, E Sussman, JL
Citation: Js. Jiang et al., Deposition of structure factors at the Protein Data Bank, ACT CRYST D, 55, 1999, pp. 4-4
Effect of mutations within the peripheral anionic site on the stability ofacetylcholinesterase
Authors: Morel, N Bon, S Greenblatt, HM Van Belle, D Wodak, SJ Sussman, JL Massoulie, J Silman, I
Citation: N. Morel et al., Effect of mutations within the peripheral anionic site on the stability ofacetylcholinesterase, MOLEC PHARM, 55(6), 1999, pp. 982-992
The protein data bank - Bridging the gap between the sequence and 3D structure world
Authors: Sussman, JL Abola, EE Lin, D Jiang, J Manning, NO Prilusky, J
Citation: Jl. Sussman et al., The protein data bank - Bridging the gap between the sequence and 3D structure world, GENETICA, 106(1-2), 1999, pp. 149-158
Structure of acetylcholinesterase complexed with (-)-galanthamine at 2.3 angstrom resolution
Authors: Greenblatt, HM Kryger, G Lewis, T Silman, I Sussman, JL
Citation: Hm. Greenblatt et al., Structure of acetylcholinesterase complexed with (-)-galanthamine at 2.3 angstrom resolution, FEBS LETTER, 463(3), 1999, pp. 321-326
A preliminary comparison of structural models for catalytic intermediates of acetylcholinesterase
Authors: Silman, I Millard, CB Ordentlich, A Greenblatt, HM Harel, M Barak, D Shafferman, A Sussman, JL
Citation: I. Silman et al., A preliminary comparison of structural models for catalytic intermediates of acetylcholinesterase, CHEM-BIO IN, 120, 1999, pp. 43-52
A modular treatment of molecular traffic through the active site of cholinesterase
Authors: Botti, SA Felder, CE Lifson, S Sussman, JL Silman, I
Citation: Sa. Botti et al., A modular treatment of molecular traffic through the active site of cholinesterase, BIOPHYS J, 77(5), 1999, pp. 2430-2450
Crystal structures of aged phosphonylated acetylcholinesterase: Nerve agent reaction products at the atomic level
Authors: Millard, CB Kryger, G Ordentlich, A Greenblatt, HM Harel, M Raves, ML Segall, Y Barak, D Shafferman, A Silman, I Sussman, JL
Citation: Cb. Millard et al., Crystal structures of aged phosphonylated acetylcholinesterase: Nerve agent reaction products at the atomic level, BIOCHEM, 38(22), 1999, pp. 7032-7039
Risultati: 1-25 | 26-29