-
2
-
-
33746808398
-
Wnt/β-Catenin Signaling in Development and Disease
-
H. Clevers Wnt/β-Catenin Signaling in Development and Disease Cell 2006 127 469 480
-
(2006)
Cell
, vol.127
, pp. 469-480
-
-
Clevers, H.1
-
3
-
-
0033895709
-
Wnt signaling and cancer
-
P. Polakis Wnt signaling and cancer Genes Dev. 2000 141 837 1851
-
(2000)
Genes Dev.
, vol.141
, pp. 837-1851
-
-
Polakis, P.1
-
4
-
-
84861986053
-
Wnt/β-Catenin Signaling and Disease
-
H. Clevers R. Nusse Wnt/β-Catenin Signaling and Disease Cell 2012 149 1192 1205
-
(2012)
Cell
, vol.149
, pp. 1192-1205
-
-
Clevers, H.1
Nusse, R.2
-
5
-
-
67650230896
-
Wnt/β-Catenin Signaling: Components, Mechanisms, and Diseases
-
B. T. MacDonald K. Tamai X. He Wnt/β-Catenin Signaling: Components, Mechanisms, and Diseases Dev. Cell 2009 17 9 26
-
(2009)
Dev. Cell
, vol.17
, pp. 9-26
-
-
MacDonald, B.T.1
Tamai, K.2
He, X.3
-
6
-
-
70349695861
-
Tankyrase inhibition stabilizes axin and antagonizes Wnt signalling
-
S.-M. A. Huang Y. M. Mishina S. Liu A. Cheung F. Stegmeier G. A. Michaud O. Charlat E. Wiellette Y. Zhang S. Wiessner M. Hild X. Shi C. J. Wilson C. Mickanin V. Myer A. Fazal R. Tomlinson F. Serluca W. Shao H. Cheng M. Shultz C. Rau M. Schirle J. Schlegl S. Ghidelli S. Fawell C. Lu D. Curtis M. W. Kirschner C. Lengauer P. M. Finan J. A. Tallarico T. Bouwmeester J. A. Porter A. Bauer F. Cong Tankyrase inhibition stabilizes axin and antagonizes Wnt signalling Nature 2009 461 614 620
-
(2009)
Nature
, vol.461
, pp. 614-620
-
-
Huang, S.-M.A.1
Mishina, Y.M.2
Liu, S.3
Cheung, A.4
Stegmeier, F.5
Michaud, G.A.6
Charlat, O.7
Wiellette, E.8
Zhang, Y.9
Wiessner, S.10
Hild, M.11
Shi, X.12
Wilson, C.J.13
Mickanin, C.14
Myer, V.15
Fazal, A.16
Tomlinson, R.17
Serluca, F.18
Shao, W.19
Cheng, H.20
Shultz, M.21
Rau, C.22
Schirle, M.23
Schlegl, J.24
Ghidelli, S.25
Fawell, S.26
Lu, C.27
Curtis, D.28
Kirschner, M.W.29
Lengauer, C.30
Finan, P.M.31
Tallarico, J.A.32
Bouwmeester, T.33
Porter, J.A.34
Bauer, A.35
Cong, F.36
more..
-
7
-
-
33845351956
-
β-Catenin destruction complex: Insights and questions from a structural perspective
-
D. Kimelman W. Xu β-Catenin destruction complex: insights and questions from a structural perspective Oncogene 2006 25 7482 7491
-
(2006)
Oncogene
, vol.25
, pp. 7482-7491
-
-
Kimelman, D.1
Xu, W.2
-
8
-
-
0028291928
-
Characteristics of Somatic Mutation of the Adenomatous Polyposis Coli Gene in Colorectal Tumors
-
M. Miyaki M. Konishi R. Kikuchi-Yanoshita M. Enomoto T. Igari K. Tanaka M. Muraoka H. Takahashi Y. Amada M. Fukayama Y. Maeda T. Iwama Y. Mishima T. Mori M. Koike Characteristics of Somatic Mutation of the Adenomatous Polyposis Coli Gene in Colorectal Tumors Cancer Res. 1994 54 3011 3020
-
(1994)
Cancer Res.
, vol.54
, pp. 3011-3020
-
-
Miyaki, M.1
Konishi, M.2
Kikuchi-Yanoshita, R.3
Enomoto, M.4
Igari, T.5
Tanaka, K.6
Muraoka, M.7
Takahashi, H.8
Amada, Y.9
Fukayama, M.10
Maeda, Y.11
Iwama, T.12
Mishima, Y.13
Mori, T.14
Koike, M.15
-
9
-
-
0026894053
-
Somatic mutations of the APC gene in colorectal tumors: Mutation cluster region in the APC gene
-
Y. Mori H. Nagse H. Ando A. Horii S. Ichii S. Nakatsuru T. Aoki Y. Miki T. Mori Y. Nakamura Somatic mutations of the APC gene in colorectal tumors: mutation cluster region in the APC gene Hum. Mol. Genet. 1992 1 229 233
-
(1992)
Hum. Mol. Genet.
, vol.1
, pp. 229-233
-
-
Mori, Y.1
Nagse, H.2
Ando, H.3
Horii, A.4
Ichii, S.5
Nakatsuru, S.6
Aoki, T.7
Miki, Y.8
Mori, T.9
Nakamura, Y.10
-
10
-
-
0026630266
-
APC mutations occur early during colorectal tumorigenesis
-
S. M. Powell N. Zilz Y. Beazer-Barclay T. M. Bryan S. R. Hamilton S. N. Thibodeau B. Vogelstein K. W. Kinzler APC mutations occur early during colorectal tumorigenesis Nature 1992 359 235 237
-
(1992)
Nature
, vol.359
, pp. 235-237
-
-
Powell, S.M.1
Zilz, N.2
Beazer-Barclay, Y.3
Bryan, T.M.4
Hamilton, S.R.5
Thibodeau, S.N.6
Vogelstein, B.7
Kinzler, K.W.8
-
11
-
-
70350502857
-
PARsing the Phrase All in for Axin Wnt Pathway Targets in Cancer
-
E. R. Fearon PARsing the Phrase All in for Axin Wnt Pathway Targets in Cancer Cancer Cell 2009 16 366 368
-
(2009)
Cancer Cell
, vol.16
, pp. 366-368
-
-
Fearon, E.R.1
-
12
-
-
0032553473
-
Tankyrase, a Poly(ADP-Ribose)Polymerase at Human Telomeres
-
S. Smith I. Giriat A. Schmitt T. de Lange Tankyrase, a Poly(ADP-Ribose)Polymerase at Human Telomeres Science 1998 282 1484 1487
-
(1998)
Science
, vol.282
, pp. 1484-1487
-
-
Smith, S.1
Giriat, I.2
Schmitt, A.3
De Lange, T.4
-
14
-
-
36749045682
-
Tankyrase function at telomeres, spindle poles, and beyond
-
S. J. Hsiao S. Smith Tankyrase function at telomeres, spindle poles, and beyond Biochimie 2008 90 83 92
-
(2008)
Biochimie
, vol.90
, pp. 83-92
-
-
Hsiao, S.J.1
Smith, S.2
-
15
-
-
0035929591
-
TANK2, a New TRF1-associated Poly(ADP-ribose)Polymerase, Causes Rapid Induction of Cell Death upon Overexpression
-
P. G. Kaminker S.-H. Kim R. D. Taylor Y. Zebarjadian W. D. Funk G. B. Morin P. Yaswen J. Campisi TANK2, a New TRF1-associated Poly(ADP-ribose) Polymerase, Causes Rapid Induction of Cell Death upon Overexpression J. Biol. Chem. 2001 276 35891 35899
-
(2001)
J. Biol. Chem.
, vol.276
, pp. 35891-35899
-
-
Kaminker, P.G.1
Kim, S.-H.2
Taylor, R.D.3
Zebarjadian, Y.4
Funk, W.D.5
Morin, G.B.6
Yaswen, P.7
Campisi, J.8
-
17
-
-
83255171058
-
Structural Basis and Sequence Rules for Substrate Recognition by Tankyrase Explain the Basis for Cherubism Disease
-
S. Guettler J. LaRose E. Petsalaki G. Gish A. Scotter T. Pawson R. Rottapel F. Sicheri Structural Basis and Sequence Rules for Substrate Recognition by Tankyrase Explain the Basis for Cherubism Disease Cell 2011 147 1340 1354
-
(2011)
Cell
, vol.147
, pp. 1340-1354
-
-
Guettler, S.1
Larose, J.2
Petsalaki, E.3
Gish, G.4
Scotter, A.5
Pawson, T.6
Rottapel, R.7
Sicheri, F.8
-
18
-
-
1342304047
-
Functional Subdomain in the Ankyrin Domain of Tankyrase 1 Required for Poly(ADP-Ribosyl)ation of TRF1 and Telomere Elongation
-
H. Seimiya Y. Muramatsu S. Smith T. Tsuruo Functional Subdomain in the Ankyrin Domain of Tankyrase 1 Required for Poly(ADP-Ribosyl)ation of TRF1 and Telomere Elongation Mol. Cell. Biol. 2004 24 1944 1955
-
(2004)
Mol. Cell. Biol.
, vol.24
, pp. 1944-1955
-
-
Seimiya, H.1
Muramatsu, Y.2
Smith, S.3
Tsuruo, T.4
-
19
-
-
84863410134
-
Crystal structure of a Tankyrase-Axin complex and its implications for Axin turnover and Tankyrase substrate recruitment
-
S. Morrone Z. Cheng R. T. Moon F. Cong W. Xu Crystal structure of a Tankyrase-Axin complex and its implications for Axin turnover and Tankyrase substrate recruitment Proc. Natl. Acad. Sci. U. S. A. 2012 109 1500 1505
-
(2012)
Proc. Natl. Acad. Sci. U. S. A.
, vol.109
, pp. 1500-1505
-
-
Morrone, S.1
Cheng, Z.2
Moon, R.T.3
Cong, F.4
Xu, W.5
-
20
-
-
85047693635
-
Tankyrase-1 polymerization of poly(ADP-ribose) is required for spindle structure and function
-
P. Chang M. Coughlin T. J. Mitchison Tankyrase-1 polymerization of poly(ADP-ribose) is required for spindle structure and function Nat. Cell Biol. 2005 7 1133 1139
-
(2005)
Nat. Cell Biol.
, vol.7
, pp. 1133-1139
-
-
Chang, P.1
Coughlin, M.2
Mitchison, T.J.3
-
21
-
-
10344234720
-
Poly(ADP-ribose) is required for spindle assembly and structure
-
P. Chang M. K. Jacobson T. J. Mitchison Poly(ADP-ribose) is required for spindle assembly and structure Nature 2004 432 645 649
-
(2004)
Nature
, vol.432
, pp. 645-649
-
-
Chang, P.1
Jacobson, M.K.2
Mitchison, T.J.3
-
22
-
-
83255171065
-
Loss of Tankyrase-Mediated Destruction of 3BP2 Is the Underlying Pathogenic Mechanism of Cherubism
-
N. Levaot O. Voytyuk I. Dimitriou F. Sircoulomb A. Chandrakumar M. Deckert P. M. Krzyzanowski A. Scotter S. Gu S. Janmohamed F. Cong P. D. Simoncic Y. Ueki J. La Rose R. Rottapel Loss of Tankyrase-Mediated Destruction of 3BP2 Is the Underlying Pathogenic Mechanism of Cherubism Cell 2011 147 1324 1339
-
(2011)
Cell
, vol.147
, pp. 1324-1339
-
-
Levaot, N.1
Voytyuk, O.2
Dimitriou, I.3
Sircoulomb, F.4
Chandrakumar, A.5
Deckert, M.6
Krzyzanowski, P.M.7
Scotter, A.8
Gu, S.9
Janmohamed, S.10
Cong, F.11
Simoncic, P.D.12
Ueki, Y.13
La Rose, J.14
Rottapel, R.15
-
23
-
-
84862910351
-
Herpes Simplex Virus Requires Poly(ADP-Ribose)Polymerase Activity for Efficient Replication and Induces Extracellular Signal-Related Kinase-Dependent Phosphorylation and ICP0-Dependent Nuclear Localization of Tankyrase 1
-
Z. Li Y. Yamauchi M. Kamakura T. Murayama F. Goshima H. Kimura Y. Nishiyama Herpes Simplex Virus Requires Poly(ADP-Ribose)Polymerase Activity for Efficient Replication and Induces Extracellular Signal-Related Kinase-Dependent Phosphorylation and ICP0-Dependent Nuclear Localization of Tankyrase 1 J. Virol. 2012 86 492 503
-
(2012)
J. Virol.
, vol.86
, pp. 492-503
-
-
Li, Z.1
Yamauchi, Y.2
Kamakura, M.3
Murayama, T.4
Goshima, F.5
Kimura, H.6
Nishiyama, Y.7
-
24
-
-
58249122326
-
Small molecule-mediated disruption of Wnt-dependent signaling in tissue regeneration and cancer
-
B. Chen M. E. Dodge W. Tang J. Lu Z. Ma C.-W. Fan S. Wei W. Hao J. Kilgore N. S. Williams M. G. Roth J. F. Amatruda C. Chen L. Lum Small molecule-mediated disruption of Wnt-dependent signaling in tissue regeneration and cancer Nat. Chem. Biol. 2009 5 100 107
-
(2009)
Nat. Chem. Biol.
, vol.5
, pp. 100-107
-
-
Chen, B.1
Dodge, M.E.2
Tang, W.3
Lu, J.4
Ma, Z.5
Fan, C.-W.6
Wei, S.7
Hao, W.8
Kilgore, J.9
Williams, N.S.10
Roth, M.G.11
Amatruda, J.F.12
Chen, C.13
Lum, L.14
-
25
-
-
84861843671
-
A Novel Tankyrase Inhibitor Decreases Canonical Wnt Signaling in Colon Carcinoma Cells and Reduces Tumor Growth in Conditional APC Mutant Mice
-
J. Waaler O. Machon L. Tumova H. Dinh V. Korinek S. R. Wilson J. E. Paulsen N. M. Pedersen T. J. Eide O. Machonova D. Gradl A. Voronkov J. P. von Kries S. Krauss A Novel Tankyrase Inhibitor Decreases Canonical Wnt Signaling in Colon Carcinoma Cells and Reduces Tumor Growth in Conditional APC Mutant Mice Cancer Res. 2012 72 2822 2832
-
(2012)
Cancer Res.
, vol.72
, pp. 2822-2832
-
-
Waaler, J.1
MacHon, O.2
Tumova, L.3
Dinh, H.4
Korinek, V.5
Wilson, S.R.6
Paulsen, J.E.7
Pedersen, N.M.8
Eide, T.J.9
MacHonova, O.10
Gradl, D.11
Voronkov, A.12
Von Kries, J.P.13
Krauss, S.14
-
26
-
-
0033954256
-
The Protein Data Bank
-
H. M. Berman J. Westbrook Z. Feng G. Gilliland T. N. Bhat H. Weissig I. N. Shindyalov P. E. Bourne The Protein Data Bank Nucleic Acids Res. 2000 28 235 242
-
(2000)
Nucleic Acids Res.
, vol.28
, pp. 235-242
-
-
Berman, H.M.1
Westbrook, J.2
Feng, Z.3
Gilliland, G.4
Bhat, T.N.5
Weissig, H.6
Shindyalov, I.N.7
Bourne, P.E.8
-
27
-
-
84856879500
-
Structural Basis of Selective Inhibition of Human Tankyrases
-
M. Narwal H. Venkannagari L. Lehtio Structural Basis of Selective Inhibition of Human Tankyrases J. Med. Chem. 2012 55 1360 1367
-
(2012)
J. Med. Chem.
, vol.55
, pp. 1360-1367
-
-
Narwal, M.1
Venkannagari, H.2
Lehtio, L.3
-
28
-
-
84858383452
-
Novel Binding Mode of a Potent and Selective Tankyrase Inhibitor
-
H. Gunaydin Y. Gu X. Huang Novel Binding Mode of a Potent and Selective Tankyrase Inhibitor PLoS One 2012 7 e33740
-
(2012)
PLoS One
, vol.7
, pp. 33740
-
-
Gunaydin, H.1
Gu, Y.2
Huang, X.3
-
29
-
-
80054956766
-
-
Schrödinger, LLC, New York
-
Maestro, version 9.2, Schrödinger, LLC, New York, 2011
-
(2011)
Maestro, Version 9.2
-
-
-
30
-
-
0029912748
-
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
-
W. L. Jorgensen D. S. Maxwell J. Tirado-Rives Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids J. Am. Chem. Soc. 1996 118 11225 11236
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
31
-
-
0035913529
-
Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides
-
G. A. Kaminski R. A. Friesner J. Tirado-Rives W. L. Jorgensen Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides J. Phys. Chem. B 2001 105 6474 6487
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 6474-6487
-
-
Kaminski, G.A.1
Friesner, R.A.2
Tirado-Rives, J.3
Jorgensen, W.L.4
-
32
-
-
84891468665
-
-
Schrödinger, LLC, New York
-
Glide, version 5.0, Schrödinger, LLC, New York, 2011
-
(2011)
Glide, Version 5.0
-
-
-
33
-
-
84856024718
-
-
Schrödinger, LLC, New York, NY
-
LigPrep, version 2.5, Schrödinger, LLC, New York, NY, 2011
-
(2011)
LigPrep, Version 2.5
-
-
-
34
-
-
33750124980
-
Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein-Ligand Complexes
-
R. A. Friesner R. B. Murphy M. P. Repasky L. L. Frye J. R. Greenwood T. A. Halgren P. C. Sanschagrin D. T. Mainz Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein-Ligand Complexes J. Med. Chem. 2006 49 6177 6196
-
(2006)
J. Med. Chem.
, vol.49
, pp. 6177-6196
-
-
Friesner, R.A.1
Murphy, R.B.2
Repasky, M.P.3
Frye, L.L.4
Greenwood, J.R.5
Halgren, T.A.6
Sanschagrin, P.C.7
Mainz, D.T.8
-
35
-
-
1642310340
-
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
-
T. A. Halgren R. B. Murphy R. A. Friesner H. S. Beard L. L. Frye W. T. Pollard J. L. Banks Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening J. Med. Chem. 2004 47 1750 1759
-
(2004)
J. Med. Chem.
, vol.47
, pp. 1750-1759
-
-
Halgren, T.A.1
Murphy, R.B.2
Friesner, R.A.3
Beard, H.S.4
Frye, L.L.5
Pollard, W.T.6
Banks, J.L.7
-
36
-
-
12144289984
-
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
-
R. A. Friesner J. L. Banks R. B. Murphy T. A. Halgren J. J. Klicic D. T. Mainz M. P. Repasky E. H. Knoll M. Shelley J. K. Perry D. E. Shaw P. Francis P. S. Shenkin Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy J. Med. Chem. 2004 47 1739 1749
-
(2004)
J. Med. Chem.
, vol.47
, pp. 1739-1749
-
-
Friesner, R.A.1
Banks, J.L.2
Murphy, R.B.3
Halgren, T.A.4
Klicic, J.J.5
Mainz, D.T.6
Repasky, M.P.7
Knoll, E.H.8
Shelley, M.9
Perry, J.K.10
Shaw, D.E.11
Francis, P.12
Shenkin, P.S.13
-
37
-
-
46249092554
-
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
-
B. Hess C. Kutzner D. van der Spoel E. Lindahl GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation J. Chem. Theory Comput. 2008 4 435 447
-
(2008)
J. Chem. Theory Comput.
, vol.4
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
-
39
-
-
4444282928
-
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
-
C. Oostenbrink A. Villa A. E. Mark W. F. Van Gunsteren A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6 J. Comput. Chem. 2004 25 1656 1676
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1656-1676
-
-
Oostenbrink, C.1
Villa, A.2
Mark, A.E.3
Van Gunsteren, W.F.4
-
40
-
-
84867347688
-
Exploring the properties of small molecule protein binding via molecular simulations: The TRSH-p53 core domain complex
-
T. S. Hofer W. F. van Gunsteren Exploring the properties of small molecule protein binding via molecular simulations: the TRSH-p53 core domain complex Mol. BioSyst. 2012 8 2891 2900
-
(2012)
Mol. BioSyst.
, vol.8
, pp. 2891-2900
-
-
Hofer, T.S.1
Van Gunsteren, W.F.2
-
41
-
-
80054950510
-
Molecular dynamics simulations and drug discovery
-
J. Durrant J. A. McCammon Molecular dynamics simulations and drug discovery BMC Biol. 2011 9 71
-
(2011)
BMC Biol.
, vol.9
, pp. 71
-
-
Durrant, J.1
McCammon, J.A.2
-
42
-
-
84885123228
-
In silico study on multidrug resistance conferred by I223R/H275Y double mutant neuraminidase
-
H. Tan K. Wei J. Bao X. Zhou In silico study on multidrug resistance conferred by I223R/H275Y double mutant neuraminidase Mol. Biosyst. 2013 9 2764 2774
-
(2013)
Mol. Biosyst.
, vol.9
, pp. 2764-2774
-
-
Tan, H.1
Wei, K.2
Bao, J.3
Zhou, X.4
-
44
-
-
0035947545
-
Particle mesh Ewald method for three-dimensional systems with two-dimensional periodicity
-
M. Kawata U. Nagashima Particle mesh Ewald method for three-dimensional systems with two-dimensional periodicity Chem. Phys. Lett. 2001 340 165 172
-
(2001)
Chem. Phys. Lett.
, vol.340
, pp. 165-172
-
-
Kawata, M.1
Nagashima, U.2
-
46
-
-
84986440341
-
Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
-
S. Miyamoto P. A. Kollman Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models J. Comput. Chem. 1992 13 952 962
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 952-962
-
-
Miyamoto, S.1
Kollman, P.A.2
-
47
-
-
0037458399
-
Predicting Crystal Structures: The Parrinello-Rahman Method Revisited
-
R. Martonak A. Laio M. Parrinello Predicting Crystal Structures: The Parrinello-Rahman Method Revisited Phys. Rev. Lett. 2003 90 075503
-
(2003)
Phys. Rev. Lett.
, vol.90
, pp. 075503
-
-
Martonak, R.1
Laio, A.2
Parrinello, M.3
-
48
-
-
70350513554
-
Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis
-
N. K. Salam R. Nuti W. Sherman Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis J. Chem. Inf. Model. 2009 49 2356 2368
-
(2009)
J. Chem. Inf. Model.
, vol.49
, pp. 2356-2368
-
-
Salam, N.K.1
Nuti, R.2
Sherman, W.3
-
49
-
-
84856256257
-
Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease
-
K. D. Singh P. Kirubakaran S. Nagarajan S. Sakkiah K. Muthusamy D. Velmurgan J. Jeyakanthan Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease J. Mol. Model 2012 18 39 51
-
(2012)
J. Mol. Model
, vol.18
, pp. 39-51
-
-
Singh, K.D.1
Kirubakaran, P.2
Nagarajan, S.3
Sakkiah, S.4
Muthusamy, K.5
Velmurgan, D.6
Jeyakanthan, J.7
-
50
-
-
33745213575
-
PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching
-
S. L. Dixon A. M. Smondyrev S. N. Rao PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching Chem. Biol. Drug Des. 2006 67 370 372
-
(2006)
Chem. Biol. Drug Des.
, vol.67
, pp. 370-372
-
-
Dixon, S.L.1
Smondyrev, A.M.2
Rao, S.N.3
-
53
-
-
79951896685
-
-
Schrödinger, LLC, New York, NY, 382
-
Prime, Version 2.2, Schrödinger, LLC, New York, NY, 2010, 382
-
(2010)
Prime, Version 2.2
-
-
-
54
-
-
33746872935
-
Accurate Prediction of the Relative Potencies of Members of a Series of Kinase Inhibitors Using Molecular Docking and MM-GBSA Scoring
-
P. D. Lyne M. L. Lamb J. C. Saeh Accurate Prediction of the Relative Potencies of Members of a Series of Kinase Inhibitors Using Molecular Docking and MM-GBSA Scoring J. Med. Chem. 2006 49 4805 4808
-
(2006)
J. Med. Chem.
, vol.49
, pp. 4805-4808
-
-
Lyne, P.D.1
Lamb, M.L.2
Saeh, J.C.3
-
55
-
-
79960629696
-
Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation
-
J. Du H. Sun L. Xi J. Li Y. Yang H. Liu X. Yao Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation J. Comput. Chem. 2011 32 2800 2809
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 2800-2809
-
-
Du, J.1
Sun, H.2
Xi, L.3
Li, J.4
Yang, Y.5
Liu, H.6
Yao, X.7
-
56
-
-
0034728673
-
Prediction of Properties from Simulations: A Free Energies of Solvation in Hexadecane, Octanol, and Water
-
E. M. Duffy W. L. Jorgensen Prediction of Properties from Simulations: A Free Energies of Solvation in Hexadecane, Octanol, and Water J. Am. Chem. Soc. 2000 122 2878 2888
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 2878-2888
-
-
Duffy, E.M.1
Jorgensen, W.L.2
-
57
-
-
0035289779
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
C. A. Lipinski F. Lombardo B. W. Dominy P. J. Feeney Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings Adv. Drug Delivery Rev. 2001 46 3 26
-
(2001)
Adv. Drug Delivery Rev.
, vol.46
, pp. 3-26
-
-
Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
-
58
-
-
84872357048
-
In silico structural and functional analysis of the human TOPK protein by structure modeling and molecular dynamics studies
-
P. Kirubakaran M. Karthikeyan K. D. Singh S. Nagamani K. Premkumar In silico structural and functional analysis of the human TOPK protein by structure modeling and molecular dynamics studies J. Mol. Model 2013 19 407 419
-
(2013)
J. Mol. Model
, vol.19
, pp. 407-419
-
-
Kirubakaran, P.1
Karthikeyan, M.2
Singh, K.D.3
Nagamani, S.4
Premkumar, K.5
-
60
-
-
76749153013
-
Crystal Structure of the Catalytic Domain of Human PARP2 in Complex with PARP Inhibitor ABT-888
-
T. Karlberg M. Hammarstrom P. Schutz L. Svensson H. Schuler Crystal Structure of the Catalytic Domain of Human PARP2 in Complex with PARP Inhibitor ABT-888 Biochemistry 2010 49 1056 1058
-
(2010)
Biochemistry
, vol.49
, pp. 1056-1058
-
-
Karlberg, T.1
Hammarstrom, M.2
Schutz, P.3
Svensson, L.4
Schuler, H.5
-
63
-
-
79959410458
-
Structure-Based Design of Potent Aromatase Inhibitors by High-Throughput Docking
-
F. Caporuscio G. Rastelli C. Imbriano A. Del Rio Structure-Based Design of Potent Aromatase Inhibitors by High-Throughput Docking J. Med. Chem. 2011 54 4006 4017
-
(2011)
J. Med. Chem.
, vol.54
, pp. 4006-4017
-
-
Caporuscio, F.1
Rastelli, G.2
Imbriano, C.3
Del Rio, A.4
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