-
1
-
-
0033150686
-
From protein to structure to function
-
Orengo, C. A.; Todd, A. E.; Thorton, J. M. From protein to structure to function. Curr. Opin. Struct. Biol. 1999, 9, 374-382.
-
(1999)
Curr. Opin. Struct. Biol
, vol.9
, pp. 374-382
-
-
Orengo, C.A.1
Todd, A.E.2
Thorton, J.M.3
-
2
-
-
0032146301
-
Structure-based drug design
-
Amzel, L. M. Structure-based drug design. Curr. Opin. Biotechnol. 1998, 9, 366-369.
-
(1998)
Curr. Opin. Biotechnol
, vol.9
, pp. 366-369
-
-
Amzel, L.M.1
-
3
-
-
0030253615
-
CORCEMA evaluation of the potential role of intermulecular transferred NOESY in the characterization of ligand-receptor complexes
-
Curto, E. V.; Moseley, H. N.; Krishna, N. R. CORCEMA evaluation of the potential role of intermulecular transferred NOESY in the characterization of ligand-receptor complexes. J. Comput.-Aided Mol. Des. 1996, 10 (5), 361-371.
-
(1996)
J. Comput.-Aided Mol. Des
, vol.10
, Issue.5
, pp. 361-371
-
-
Curto, E.V.1
Moseley, H.N.2
Krishna, N.R.3
-
4
-
-
32144460010
-
Ultraviolet-circular dichroism spectroscopy and potentiometric study of the interaction between human serum albumin and sodium perfluorooctanoate
-
4l
-
(4l Messina, P.; Prieto, G.; Dodero, V.; Ruso, J. M.; Schulz, P.; Sarmiento. F. Ultraviolet-circular dichroism spectroscopy and potentiometric study of the interaction between human serum albumin and sodium perfluorooctanoate. Biopolymers 2005, 79 (6), 300-309.
-
(2005)
Biopolymers
, vol.79
, Issue.6
, pp. 300-309
-
-
Messina, P.1
Prieto, G.2
Dodero, V.3
Ruso, J.M.4
Schulz, P.5
Sarmiento, F.6
-
5
-
-
21344437920
-
Circular dichroism spectroscopy for the study of protein - ligand interactions
-
Protein, Ligand Interactions, 343-363
-
Rodger, A.; Marrington, R.; Roper, D.; Windsor, S. Circular dichroism spectroscopy for the study of protein - ligand interactions. Methods Mol. Biol. 2005, 305 (Protein - Ligand Interactions), 343-363.
-
(2005)
Methods Mol. Biol
, vol.305
-
-
Rodger, A.1
Marrington, R.2
Roper, D.3
Windsor, S.4
-
6
-
-
0042162990
-
An NMR spectroscopy study of bendaline - albumin interactions
-
Delfini, M.; Bianchetti, C.; Di Cocco, M. E.; Pescosolido, N.; Porcelli. F.; Rosa, R.; Rugo, G. An NMR spectroscopy study of bendaline - albumin interactions. Bioorg. Chem. 2003, 31 (5), 378-388.
-
(2003)
Bioorg. Chem
, vol.31
, Issue.5
, pp. 378-388
-
-
Delfini, M.1
Bianchetti, C.2
Di Cocco, M.E.3
Pescosolido, N.4
Porcelli, F.5
Rosa, R.6
Rugo, G.7
-
7
-
-
3342966009
-
Using NMR for ligand discovery and optimization
-
Villar, H. O.; Yan, J.; Hansen, M. R. Using NMR for ligand discovery and optimization. Curr. Opin. Chem. Biol. 2004, 8 (4), 387-391.
-
(2004)
Curr. Opin. Chem. Biol
, vol.8
, Issue.4
, pp. 387-391
-
-
Villar, H.O.1
Yan, J.2
Hansen, M.R.3
-
8
-
-
4344711355
-
Theory and applications of NMR-based screening in pharmaceutical research
-
Lepre, C. A.; Moore, J. M.; Peng, J. W. Theory and applications of NMR-based screening in pharmaceutical research. Chem. Rev. 2004, 104 (8), 3641-3675.
-
(2004)
Chem. Rev
, vol.104
, Issue.8
, pp. 3641-3675
-
-
Lepre, C.A.1
Moore, J.M.2
Peng, J.W.3
-
9
-
-
2942550654
-
NMR experiments for lead generation in drug discovery
-
Peng, J. W.; Moore, J.; Abdul-Manan, N. NMR experiments for lead generation in drug discovery. Prog. Nucl. Magn. Reson. Spectrosc. 2004, 44 (3-4), 225-256.
-
(2004)
Prog. Nucl. Magn. Reson. Spectrosc
, vol.44
, Issue.3-4
, pp. 225-256
-
-
Peng, J.W.1
Moore, J.2
Abdul-Manan, N.3
-
10
-
-
0029050883
-
Nuclear magnetic dipole interactions in field-oriented proteins: Information for structure determination in solution
-
Tolman, J. R.; Flanagan, J. M.; Kennedy, M. A.; Prestegard, J. H. Nuclear magnetic dipole interactions in field-oriented proteins: information for structure determination in solution. Proc. Natl. Acad. Sci. U.S.A. 1995, 92, 9279-9283.
-
(1995)
Proc. Natl. Acad. Sci. U.S.A
, vol.92
, pp. 9279-9283
-
-
Tolman, J.R.1
Flanagan, J.M.2
Kennedy, M.A.3
Prestegard, J.H.4
-
11
-
-
0034051065
-
A novel NMR method for determining the interfaces of large protein - protein complexes
-
Takahashi, H.; Nakanishi, T.; Kami, K.; Arata, Y.; Shimada, I. A novel NMR method for determining the interfaces of large protein - protein complexes. Nat. Struct. Biol. 2000, 7 (3), 220-223.
-
(2000)
Nat. Struct. Biol
, vol.7
, Issue.3
, pp. 220-223
-
-
Takahashi, H.1
Nakanishi, T.2
Kami, K.3
Arata, Y.4
Shimada, I.5
-
12
-
-
0037039335
-
Mupping protein - protein interactions in solution by NMR spectroscopy
-
Zuiderweg, E. R. P. Mupping protein - protein interactions in solution by NMR spectroscopy. Biochemistry 2002, 41 (1), 1-7.
-
(2002)
Biochemistry
, vol.41
, Issue.1
, pp. 1-7
-
-
Zuiderweg, E.R.P.1
-
13
-
-
13844323158
-
Chemical shifts in proteins come of age
-
Szilagyi, L. Chemical shifts in proteins come of age. Prog. Nucl. Magn. Reson. Spectrosc. 1995, 27 (4), 325-443.
-
(1995)
Prog. Nucl. Magn. Reson. Spectrosc
, vol.27
, Issue.4
, pp. 325-443
-
-
Szilagyi, L.1
-
14
-
-
0029836953
-
Discovering high-affinity ligands for proteins: SAR by NMR
-
Shuker, S. B.; Hajduk, P. J.; Meadows, R. P.; Fesik, S. W. Discovering high-affinity ligands for proteins: SAR by NMR. Science 1996, 274 (5292), 1531-1534.
-
(1996)
Science
, vol.274
, Issue.5292
, pp. 1531-1534
-
-
Shuker, S.B.1
Hajduk, P.J.2
Meadows, R.P.3
Fesik, S.W.4
-
15
-
-
0033636878
-
Alignment of weakly interacting molecules to protein surfaces using simulations of chemical shift perturbations
-
McCoy, M. A.; Wyss, D. F. Alignment of weakly interacting molecules to protein surfaces using simulations of chemical shift perturbations. J. Biomol. NMR 2000, 18 (3), 189-198.
-
(2000)
J. Biomol. NMR
, vol.18
, Issue.3
, pp. 189-198
-
-
McCoy, M.A.1
Wyss, D.F.2
-
16
-
-
2342652311
-
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening
-
Wyss, D. F.; Arasappan, A.; Senior, M. M.; Wang, Y.-S.; Beyer, B. M.; Njoroge, F. G.; McCoy, M. A. Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. J. Med. Chem. 2004, 47 (10), 2486-2498.
-
(2004)
J. Med. Chem
, vol.47
, Issue.10
, pp. 2486-2498
-
-
Wyss, D.F.1
Arasappan, A.2
Senior, M.M.3
Wang, Y.-S.4
Beyer, B.M.5
Njoroge, F.G.6
McCoy, M.A.7
-
17
-
-
0034673316
-
The use of differential chemical shifts for determining the binding site location and orientation of protein-bound ligands
-
Medek, A.; Hajduk, P. J.; Mack, J.; Fesik, S. W. The use of differential chemical shifts for determining the binding site location and orientation of protein-bound ligands. J. Am. Chem. Soc. 2000, 122 (6), 1241-1242.
-
(2000)
J. Am. Chem. Soc
, vol.122
, Issue.6
, pp. 1241-1242
-
-
Medek, A.1
Hajduk, P.J.2
Mack, J.3
Fesik, S.W.4
-
18
-
-
0000584523
-
Ab initio methods for the calculation of NMR shielding and indirect spin - spin coupling constants
-
Helgaker, T.; Jaszunski, M.; Ruud, K. Ab initio methods for the calculation of NMR shielding and indirect spin - spin coupling constants. Chem. Rev. 1999, 99 (1), 293-352.
-
(1999)
Chem. Rev
, vol.99
, Issue.1
, pp. 293-352
-
-
Helgaker, T.1
Jaszunski, M.2
Ruud, K.3
-
19
-
-
0037010532
-
Spin - spin coupling tensors as determined by experiment and computational chemistry
-
Vaara, J.; Jokisaari, J.; Wasylishen, R. E.; Bryce, D. L. Spin - spin coupling tensors as determined by experiment and computational chemistry. Prog. Nucl. Magn. Reson. Spectrosc. 2002, 41 (3-4), 233-304.
-
(2002)
Prog. Nucl. Magn. Reson. Spectrosc
, vol.41
, Issue.3-4
, pp. 233-304
-
-
Vaara, J.1
Jokisaari, J.2
Wasylishen, R.E.3
Bryce, D.L.4
-
20
-
-
36148970506
-
Advances in theoretical and physical aspects of spin - spin coupling constants
-
Contreras, R. H.; Barone, V.; Facelli, J. C.; Peralta, J. E. Advances in theoretical and physical aspects of spin - spin coupling constants. Annu. Rep. NMR Spectrosc. 2003, 51, 167-260.
-
(2003)
Annu. Rep. NMR Spectrosc
, vol.51
, pp. 167-260
-
-
Contreras, R.H.1
Barone, V.2
Facelli, J.C.3
Peralta, J.E.4
-
21
-
-
0035544152
-
13C′ chemical shifts in proteins using a density functional database
-
13C′ chemical shifts in proteins using a density functional database. J. Biomol. NMR 2001, 21 (4), 321-333.
-
(2001)
J. Biomol. NMR
, vol.21
, Issue.4
, pp. 321-333
-
-
Xu, X.-P.1
Case, D.A.2
-
23
-
-
26844474647
-
From structure to chemical shift and vice-versa
-
Hunter, C. A.; Packer, M. J.; Zonta, C. From structure to chemical shift and vice-versa. Prog. Nucl. Magn. Reson. Spectrosc. 2005, 47 (1-2), 27-39.
-
(2005)
Prog. Nucl. Magn. Reson. Spectrosc
, vol.47
, Issue.1-2
, pp. 27-39
-
-
Hunter, C.A.1
Packer, M.J.2
Zonta, C.3
-
24
-
-
0034646441
-
Heteronuclear NMR and soft docking: An experimental approach for a structural model of the cytochrome c553-ferredoxin complex
-
Morelli, X.; Dolla, A.; Czjzek, M.; Palma, P. N.; Blasco, F.; Krippahl, L.; Moura, J. J. G.; Guerlesquin, F. Heteronuclear NMR and soft docking: an experimental approach for a structural model of the cytochrome c553-ferredoxin complex. Biochemistry 2000, 39 (10), 2530-2537.
-
(2000)
Biochemistry
, vol.39
, Issue.10
, pp. 2530-2537
-
-
Morelli, X.1
Dolla, A.2
Czjzek, M.3
Palma, P.N.4
Blasco, F.5
Krippahl, L.6
Moura, J.J.G.7
Guerlesquin, F.8
-
25
-
-
0034808070
-
A novel approach for assessing macromolecular complexes combining soft-docking calculations with NMR data
-
Morelli, X. J.; Palma, P. N.; Guerlesquin, F.; Rigby, A. C. A novel approach for assessing macromolecular complexes combining soft-docking calculations with NMR data. Protein Sci. 2001, 10 (10), 2131-2137.
-
(2001)
Protein Sci
, vol.10
, Issue.10
, pp. 2131-2137
-
-
Morelli, X.J.1
Palma, P.N.2
Guerlesquin, F.3
Rigby, A.C.4
-
26
-
-
0034212826
-
BiGGER: A new (soft) docking algorithm for predicting protein interactions
-
Palma, P. N.; Krippahl, L.; Wampler, J. E.; Moura, J. J. G. BiGGER: a new (soft) docking algorithm for predicting protein interactions. Proteins: Struct., Funct. Genet. 2000, 39 (4), 372-384.
-
(2000)
Proteins: Struct., Funct. Genet
, vol.39
, Issue.4
, pp. 372-384
-
-
Palma, P.N.1
Krippahl, L.2
Wampler, J.E.3
Moura, J.J.G.4
-
27
-
-
0034981694
-
Structure prediction of protein complexes by an NMR-based protein docking algorithm
-
Kohlbacher, O.; Burchardt, A.; Moll, A.; Hildebrandt, A.; Bayer, P.; Lenhof, H.-P. Structure prediction of protein complexes by an NMR-based protein docking algorithm. J. Biomol. NMR 2001, 20 (1), 15-21.
-
(2001)
J. Biomol. NMR
, vol.20
, Issue.1
, pp. 15-21
-
-
Kohlbacher, O.1
Burchardt, A.2
Moll, A.3
Hildebrandt, A.4
Bayer, P.5
Lenhof, H.-P.6
-
28
-
-
0041319073
-
Filtering and selection of structural models: Combining docking and NMR
-
Dobrodumov, A.; Groneriborn, A. M. Filtering and selection of structural models: combining docking and NMR. Proteins: Struct., Funct., Genet. 2003, 53 (1), 18-32.
-
(2003)
Proteins: Struct., Funct., Genet
, vol.53
, Issue.1
, pp. 18-32
-
-
Dobrodumov, A.1
Groneriborn, A.M.2
-
29
-
-
0037009985
-
Spatial localization of ligand binding sites from electron current density surfaces calculated from NMR chemical shift perturbations
-
McCoy, M. A.; Wyss, D. F. Spatial localization of ligand binding sites from electron current density surfaces calculated from NMR chemical shift perturbations. J. Am. Chem. Soc. 2002, 124 (39), 11758-11763.
-
(2002)
J. Am. Chem. Soc
, vol.124
, Issue.39
, pp. 11758-11763
-
-
McCoy, M.A.1
Wyss, D.F.2
-
30
-
-
0037070536
-
Structures of protein-protein complexes are docked using only NMR restraints from residual dipolar coupling and chemical shift perturbations
-
McCoy, M. A.; Wyss, D. F. Structures of protein-protein complexes are docked using only NMR restraints from residual dipolar coupling and chemical shift perturbations. J. Am. Chem. Soc. 2002, 124 (10), 2104-2105.
-
(2002)
J. Am. Chem. Soc
, vol.124
, Issue.10
, pp. 2104-2105
-
-
McCoy, M.A.1
Wyss, D.F.2
-
31
-
-
0037442962
-
HADDOCK: A protein - protein docking approach based on biochemical or biophysical information
-
Dominguez, C.; Boelens, R.; Bonvin, A. M. J. J. HADDOCK: a protein - protein docking approach based on biochemical or biophysical information. J. Am. Chem. Soc. 2003, 125 (7), 1731-1737.
-
(2003)
J. Am. Chem. Soc
, vol.125
, Issue.7
, pp. 1731-1737
-
-
Dominguez, C.1
Boelens, R.2
Bonvin, A.M.J.J.3
-
32
-
-
12544256528
-
Data-driven docking for the study of biomolccular complexes
-
van Dijk, A. D. J.; Boelens, R.; Bonvin, A. M. J. J. Data-driven docking for the study of biomolccular complexes. FEBS J. 2005, 272 (2), 293-312.
-
(2005)
FEBS J
, vol.272
, Issue.2
, pp. 293-312
-
-
van Dijk, A.D.J.1
Boelens, R.2
Bonvin, A.M.J.J.3
-
33
-
-
0013293280
-
The Xplor-NIH NMR molecular structure determination package
-
Schwieters, C. D.; Kuszewski, J. J.; Tjandra, N.; Marius Clore, G. The Xplor-NIH NMR molecular structure determination package. J. Magn. Reson. 2003, 160 (1), 65-73.
-
(2003)
J. Magn. Reson
, vol.160
, Issue.1
, pp. 65-73
-
-
Schwieters, C.D.1
Kuszewski, J.J.2
Tjandra, N.3
Marius Clore, G.4
-
34
-
-
26944493033
-
How much NMR data is required to determine a protein - ligand complex structure
-
2005
-
Schieborr, U.; Vogtherr, M.; Elshorst, B.; Betz, M.; Grimme, S.; Pescatore, B.; Langer, T.; Saxena, K.; Schwalbe, H. How much NMR data is required to determine a protein - ligand complex structure. CheinBioChem 2005, 6 (10), 1891-1898.
-
(1891)
CheinBioChem
, vol.6
, Issue.10
-
-
Schieborr, U.1
Vogtherr, M.2
Elshorst, B.3
Betz, M.4
Grimme, S.5
Pescatore, B.6
Langer, T.7
Saxena, K.8
Schwalbe, H.9
-
35
-
-
0032976814
-
Complexation-induced changes in 1H NMR chemical shift for supramolccular structure determination
-
Hunter, C. A.; Packer, M. J. Complexation-induced changes in 1H NMR chemical shift for supramolccular structure determination. Chem. - Eur. J. 1999, 5 (6), 1891-1897.
-
(1999)
Chem. - Eur. J
, vol.5
, Issue.6
, pp. 1891-1897
-
-
Hunter, C.A.1
Packer, M.J.2
-
37
-
-
0036786190
-
Solution structure of a novel chromoprotein derived from apo-neocarzinostatin and a synthetic chromophore
-
Urbaniak, M. D.; Muskett, F. W.; Finucane, M. D.; Caddick, S.; Woolfson, D. N. Solution structure of a novel chromoprotein derived from apo-neocarzinostatin and a synthetic chromophore. Biochemistry 2002, 41 (39), 11731-11739.
-
(2002)
Biochemistry
, vol.41
, Issue.39
, pp. 11731-11739
-
-
Urbaniak, M.D.1
Muskett, F.W.2
Finucane, M.D.3
Caddick, S.4
Woolfson, D.N.5
-
38
-
-
0027690997
-
Crystal structure of neocarzinostatin, an antitumor protcin - chromophore complex
-
Kim, K. H.; Kwon, B. M.; Myers, A. G.; Rees, D. C. Crystal structure of neocarzinostatin, an antitumor protcin - chromophore complex. Science 1993, 262 (5136), 1042-1046.
-
(1993)
Science
, vol.262
, Issue.5136
, pp. 1042-1046
-
-
Kim, K.H.1
Kwon, B.M.2
Myers, A.G.3
Rees, D.C.4
-
39
-
-
0030255292
-
Extended electron distributions applied to the molecular mechanics of some intermolecular interactions. II. Organic complexes
-
Vinter, J. G. Extended electron distributions applied to the molecular mechanics of some intermolecular interactions. II. Organic complexes. J. Comput.-Aided Mol. Des. 1996, 10 (5), 417-426.
-
(1996)
J. Comput.-Aided Mol. Des
, vol.10
, Issue.5
, pp. 417-426
-
-
Vinter, J.G.1
-
40
-
-
0031552362
-
Development and validation of a genetic algorithm for flexible docking
-
Jones, G.; Willett, P.; Glen, R. C.; Leach, A. R.; Taylor, R. Development and validation of a genetic algorithm for flexible docking. J. Mol. Biol. 1997, 267 (3), 727-748.
-
(1997)
J. Mol. Biol
, vol.267
, Issue.3
, pp. 727-748
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
Leach, A.R.4
Taylor, R.5
|