-
1
-
-
0032735188
-
Modelling G-protein-coupled receptors for drug design
-
D.R. Flower, Modelling G-protein-coupled receptors for drug design, Biochim, Biophys. Acta. 1422 (1999), pp. 207-234.
-
(1999)
Biochim, Biophys. Acta
, vol.1422
, pp. 207-234
-
-
Flower, D.R.1
-
2
-
-
0037020329
-
Drug design strategies for targeting G-protein-coupled receptors
-
T. Klabunde and G. Hessler, Drug design strategies for targeting G-protein-coupled receptors, Chem. Bio. Chem, 3 (2002), pp. 928-944.
-
(2002)
Chem. Bio. Chem
, vol.3
, pp. 928-944
-
-
Klabunde, T.1
Hessler, G.2
-
3
-
-
33645793799
-
Structure modeling of all identified G protein-coupled receptors in the human genome
-
Y. Zhang, M.E. DeVries, and J. Skolnick, Structure modeling of all identified G protein-coupled receptors in the human genome, PLoS. Comput. Biol. 2 (2006), p. e13.
-
(2006)
PLoS. Comput. Biol
, vol.2
, pp. e13
-
-
Zhang, Y.1
DeVries, M.E.2
Skolnick, J.3
-
4
-
-
0027136282
-
Comparative protein modeling by satisfaction of spatial restraints
-
A. Sali and T.L. Blundell, Comparative protein modeling by satisfaction of spatial restraints, J. Mol. Biol. 234 (1993), pp. 779-815.
-
(1993)
J. Mol. Biol
, vol.234
, pp. 779-815
-
-
Sali, A.1
Blundell, T.L.2
-
5
-
-
0033873929
-
Comparative protein structure modeling of genes and genomes
-
M..A, Marti-Renom, A.C. Stuart, and A. Fiser, Comparative protein structure modeling of genes and genomes, Ann. Rev. Biophys. Biomol. Struct. 29 (2000), pp. 291-325.
-
(2000)
Ann. Rev. Biophys. Biomol. Struct
, vol.29
, pp. 291-325
-
-
Marti-Renom, M..A1
Stuart, A.C.2
Fiser, A.3
-
6
-
-
0033545962
-
Protein structure prediction by global optimization of a potential energy function
-
A. Liwo et al., Protein structure prediction by global optimization of a potential energy function, Proc. Natl. Acad. Sci. U.S.A. 96 (1999), pp. 5482-5485.
-
(1999)
Proc. Natl. Acad. Sci. U.S.A
, vol.96
, pp. 5482-5485
-
-
Liwo, A.1
-
7
-
-
0043122944
-
ExPASy: the proleomics server for in-depth protein knowledge and analysis
-
E. Gasteiger et al., ExPASy: the proleomics server for in-depth protein knowledge and analysis, Nucl. Acid. Res. 31 (2003), pp. 3784-3788.
-
(2003)
Nucl. Acid. Res
, vol.31
, pp. 3784-3788
-
-
Gasteiger, E.1
-
8
-
-
0021919480
-
Rapid and sensitive protein similarity searches
-
D.J. Lipman and W.R. Pearson, Rapid and sensitive protein similarity searches, Science 227 (1985), pp. 1435-1441.
-
(1985)
Science
, vol.227
, pp. 1435-1441
-
-
Lipman, D.J.1
Pearson, W.R.2
-
9
-
-
0030801002
-
Gapped BLAST and PSI-BLAST: a new generation of protein database search programs
-
S.F. Altschul et al., Gapped BLAST and PSI-BLAST: a new generation of protein database search programs, Nucleic Acids Res. 25 (1997), pp. 3389-3402.
-
(1997)
Nucleic Acids Res
, vol.25
, pp. 3389-3402
-
-
Altschul, S.F.1
-
10
-
-
0027968068
-
CLUSTALW: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice
-
J.D. Thompson, D.G. Higgins, and T.J. Gibson, CLUSTALW: improving the sensitivity of progressive multiple sequence alignment through sequence weighting, position-specific gap penalties and weight matrix choice, Nucleic Acids Res. 22 (1994), pp. 4673-4680.
-
(1994)
Nucleic Acids Res
, vol.22
, pp. 4673-4680
-
-
Thompson, J.D.1
Higgins, D.G.2
Gibson, T.J.3
-
11
-
-
0034623005
-
T-Coffee: a novel method for fast and accurate multiple sequence alignment
-
C. Notredame, D.G. Higgins, and J. Heringa, T-Coffee: a novel method for fast and accurate multiple sequence alignment, J. Mol. Biol. 302 (2000), pp. 205-217.
-
(2000)
J. Mol. Biol
, vol.302
, pp. 205-217
-
-
Notredame, C.1
Higgins, D.G.2
Heringa, J.3
-
12
-
-
0030772640
-
International Union of Pharmacology. XIII. Classification of histamine receptors
-
S.J. Hill et al., International Union of Pharmacology. XIII. Classification of histamine receptors, Pharmacol. Rev. 49 (1997), pp. 253-278.
-
(1997)
Pharmacol. Rev
, vol.49
, pp. 253-278
-
-
Hill, S.J.1
-
13
-
-
6344221642
-
Homology modelling and binding site mapping of the human histamine HI receptor
-
R. Kiss, K. Zoltan, and G.M. Keseru, Homology modelling and binding site mapping of the human histamine HI receptor, Eur. J. Med. Chem. 39 (2004), pp. 959-967.
-
(2004)
Eur. J. Med. Chem
, vol.39
, pp. 959-967
-
-
Kiss, R.1
Zoltan, K.2
Keseru, G.M.3
-
14
-
-
6044260116
-
Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model
-
A. Evers and G. Klebe, Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model, J. Med. Chem. 47 (2004), pp. 5381-5392.
-
(2004)
J. Med. Chem
, vol.47
, pp. 5381-5392
-
-
Evers, A.1
Klebe, G.2
-
15
-
-
0242301182
-
Ligand-supported homology modelling of protein bindingsites using knowledge-based potentials
-
A. Evers, H. Gohlke, and G. Klebe, Ligand-supported homology modelling of protein bindingsites using knowledge-based potentials, J. Mol. Biol. 334 (2003), pp. 327-345.
-
(2003)
J. Mol. Biol
, vol.334
, pp. 327-345
-
-
Evers, A.1
Gohlke, H.2
Klebe, G.3
-
16
-
-
85194980060
-
-
www.chemcomp.com.
-
-
-
-
17
-
-
0036855381
-
Ramachandran plot on the web
-
S.S. Sheik et al., Ramachandran plot on the web, Bioinformatics 18 (2002), pp. 1548-1549.
-
(2002)
Bioinformatics
, vol.18
, pp. 1548-1549
-
-
Sheik, S.S.1
-
18
-
-
0041919542
-
Improved protein-ligand docking using GOLD
-
M.L. Verdonk et al., Improved protein-ligand docking using GOLD, Proteins 52 (2003), pp. 609-623.
-
(2003)
Proteins
, vol.52
, pp. 609-623
-
-
Verdonk, M.L.1
-
19
-
-
0031552362
-
Development and validation of a genetic algorithm for flexible docking
-
G. Jones et al., Development and validation of a genetic algorithm for flexible docking, J. Mol. Biol. 267 (1997), pp. 727-748.
-
(1997)
J. Mol. Biol
, vol.267
, pp. 727-748
-
-
Jones, G.1
-
20
-
-
33751086742
-
Ligand-supported homology modeling of the human angiotensin II type 1 (AT(1)) receptor: insights into the molecular determinants of telmisartan binding
-
A. Patny et al., Ligand-supported homology modeling of the human angiotensin II type 1 (AT(1)) receptor: insights into the molecular determinants of telmisartan binding, Proteins: Structure, Function, and Bioinformatics 65 (2006), pp. 824-842.
-
(2006)
Proteins: Structure, Function, and Bioinformatics
, vol.65
, pp. 824-842
-
-
Patny, A.1
-
21
-
-
33751118792
-
Systematic active site refinement of GPCR models through molecular dynamics simulation
-
Atlanta, GA, United States, March 26-30, (2006: COMP-218)
-
S.R. Kimura et al., Systematic active site refinement of GPCR models through molecular dynamics simulation. Abstracts of paper presented at 231st ACS National Meeting, Atlanta, GA, United States, March 26-30, 2006 (2006: COMP-218).
-
(2006)
Abstracts of paper presented at 231st ACS National Meeting
-
-
Kimura, S.R.1
-
22
-
-
0345735308
-
Synthesis and pharmacological identification of neutral histamine H1-receptor antagonists
-
G. Marinella et al., Synthesis and pharmacological identification of neutral histamine H1-receptor antagonists, J. Med. Chem. 46 (2003), pp. 5812-5824.
-
(2003)
J. Med. Chem
, vol.46
, pp. 5812-5824
-
-
Marinella, G.1
-
23
-
-
0029348605
-
Modelling and mutation studies on the histamine H1-receptor agonist binding site reveal different binding modes for Hl-agonists: Asp116 (TM.3) has a constitutive role in receptor stimulation
-
A.M. ter Laak et al., Modelling and mutation studies on the histamine H1-receptor agonist binding site reveal different binding modes for Hl-agonists: Asp116 (TM.3) has a constitutive role in receptor stimulation, J. Comput. Aided Mol. Des. 9 (1995), pp. 319-330.
-
(1995)
J. Comput. Aided Mol. Des
, vol.9
, pp. 319-330
-
-
ter Laak, A.M.1
-
24
-
-
0033569709
-
Mutational analysis of the antagonist-binding site of the histamine H(I) receptor
-
K. Wieland et al., Mutational analysis of the antagonist-binding site of the histamine H(I) receptor, J. Biol. Chem. 274 (1999), pp. 29994-30000.
-
(1999)
J. Biol. Chem
, vol.274
, pp. 29994-30000
-
-
Wieland, K.1
-
25
-
-
0028022026
-
Site-directed mutagenesis of the histamine H1 receptor: roles of aspartic acid107, asparagine198 and threonine194
-
K. Ohta et al., Site-directed mutagenesis of the histamine H1 receptor: roles of aspartic acid107, asparagine198 and threonine194, Biochem. Biophys. Res. Commun. 203 (1994), pp. 1096-1101.
-
(1994)
Biochem. Biophys. Res. Commun
, vol.203
, pp. 1096-1101
-
-
Ohta, K.1
-
26
-
-
85194976976
-
-
http://protein.cribi.unipd.it/homer/.
-
-
-
-
27
-
-
0036096608
-
A divide and conquer approach to fast, loop modeling
-
S.C.E. Tosatto et al., A divide and conquer approach to fast, loop modeling, Protein Engg. 15 (2002), pp. 279-286.
-
(2002)
Protein Engg
, vol.15
, pp. 279-286
-
-
Tosatto, S.C.E.1
-
28
-
-
0042511005
-
A graph theory algorithm for protein side-chain prediction
-
A. Canutescu, A.A. Shelenkov, and R.L. Dunbrack Jr, A graph theory algorithm for protein side-chain prediction, Protein Sci. 12 (2003), pp. 2001-2014.
-
(2003)
Protein Sci
, vol.12
, pp. 2001-2014
-
-
Canutescu, A.1
Shelenkov, A.A.2
Dunbrack, R.L.3
-
29
-
-
0025398721
-
WHAT IF: a molecular modeling and drug design program
-
G. Vriend, WHAT IF: a molecular modeling and drug design program, J. Mol. Graph. 8 (1990), pp. 52-56.
-
(1990)
J. Mol. Graph
, vol.8
, pp. 52-56
-
-
Vriend, G.1
-
30
-
-
0033584185
-
Structure-activity relationships of pyrroloquinazolines as thrombin receptor antagonists
-
H.S. Ahn et al., Structure-activity relationships of pyrroloquinazolines as thrombin receptor antagonists, Bioorg. Med. Chem. Lett. 9 (1999), pp. 2073-2078.
-
(1999)
Bioorg. Med. Chem. Lett
, vol.9
, pp. 2073-2078
-
-
Ahn, H.S.1
-
31
-
-
2942573520
-
Development of CoMFA, advance CoMFA and CoMSIA models in pyrroloquinazolines as thrombin receptor antagonist
-
A. Dixit et al., Development of CoMFA, advance CoMFA and CoMSIA models in pyrroloquinazolines as thrombin receptor antagonist, Bioorg. Med. Chem. 12 (2004), pp. 3591-3598.
-
(2004)
Bioorg. Med. Chem
, vol.12
, pp. 3591-3598
-
-
Dixit, A.1
-
32
-
-
0037533957
-
High-affinity thrombin receptor (PAR-1) ligands: a new generation of indole-basedpeptide mimetic antagonists with a basic amine at the C-terminus
-
H.C. Zhang et al., High-affinity thrombin receptor (PAR-1) ligands: a new generation of indole-basedpeptide mimetic antagonists with a basic amine at the C-terminus, Bioorg. Med. Chem. Lett. 13 (2003), pp. 2199-2203.
-
(2003)
Bioorg. Med. Chem. Lett
, vol.13
, pp. 2199-2203
-
-
Zhang, H.C.1
|