-
1
-
-
0031663503
-
Phosphoinositide kinases
-
Fruman, D. A.; Meyers, R. E.; Cantley, L. C. Phosphoinositide kinases Annu. Rev. Biochem. 1998, 67, 481-507
-
(1998)
Annu. Rev. Biochem.
, vol.67
, pp. 481-507
-
-
Fruman, D.A.1
Meyers, R.E.2
Cantley, L.C.3
-
2
-
-
0036632368
-
The phosphatidylinositol 3-Kinase AKT pathway in human cancer
-
Vivanco, I.; Sawyers, C. L. The phosphatidylinositol 3-Kinase AKT pathway in human cancer Nat. Rev. Cancer 2002, 2, 489-501
-
(2002)
Nat. Rev. Cancer
, vol.2
, pp. 489-501
-
-
Vivanco, I.1
Sawyers, C.L.2
-
3
-
-
0037205048
-
The phosphoinositide 3-kinase pathway
-
Cantley, L. C. The phosphoinositide 3-kinase pathway Science 2002, 296, 1655-1657
-
(2002)
Science
, vol.296
, pp. 1655-1657
-
-
Cantley, L.C.1
-
4
-
-
67749122122
-
Targeting PI3K signalling in cancer: Opportunities, challenges and limitations
-
Engelman, J. A. Targeting PI3K signalling in cancer: opportunities, challenges and limitations Nat. Rev. Cancer 2009, 9, 550-562
-
(2009)
Nat. Rev. Cancer
, vol.9
, pp. 550-562
-
-
Engelman, J.A.1
-
5
-
-
77949881462
-
The PI3K pathway as drug target in human cancer
-
Courtney, K. D.; Corcoran, R. B.; Engelman, J. A. The PI3K pathway as drug target in human cancer J. Clin. Oncol. 2010, 28, 1075-1083
-
(2010)
J. Clin. Oncol.
, vol.28
, pp. 1075-1083
-
-
Courtney, K.D.1
Corcoran, R.B.2
Engelman, J.A.3
-
6
-
-
33646383684
-
A pharmacological map of the PI3-K family defines a role for p110alpha in insulin signaling
-
Knight, Z. A.; Gonzalez, B.; Feldman, M. E.; Zunder, E. R.; Goldenberg, D. D.; Williams, O.; Loewith, R.; Stokoe, D.; Balla, A.; Toth, B.; Balla, T.; Weiss, W. A.; Williams, R. L.; Shokat, K. M. A pharmacological map of the PI3-K family defines a role for p110alpha in insulin signaling Cell 2006, 125, 733-747
-
(2006)
Cell
, vol.125
, pp. 733-747
-
-
Knight, Z.A.1
Gonzalez, B.2
Feldman, M.E.3
Zunder, E.R.4
Goldenberg, D.D.5
Williams, O.6
Loewith, R.7
Stokoe, D.8
Balla, A.9
Toth, B.10
Balla, T.11
Weiss, W.A.12
Williams, R.L.13
Shokat, K.M.14
-
7
-
-
67349094019
-
A new screening assay for allosteric inhibitors of cSrc
-
Simard, J. R.; Kluter, S.; Grutter, C.; Getlik, M.; Rabiller, M.; Rode, H. B.; Rauh, D. A new screening assay for allosteric inhibitors of cSrc Nat. Chem. Biol. 2009, 5, 394-396
-
(2009)
Nat. Chem. Biol.
, vol.5
, pp. 394-396
-
-
Simard, J.R.1
Kluter, S.2
Grutter, C.3
Getlik, M.4
Rabiller, M.5
Rode, H.B.6
Rauh, D.7
-
8
-
-
84907457165
-
2013 Philip S. Portoghese Medicinal Chemistry Lectureship: Drug Discovery Targeting Allosteric Sites
-
Lindsley, C. W. 2013 Philip S. Portoghese Medicinal Chemistry Lectureship: Drug Discovery Targeting Allosteric Sites. J. Med. Chem. 2014.
-
(2014)
J. Med. Chem.
-
-
Lindsley, C.W.1
-
9
-
-
84879882962
-
The concept of allosteric modulation: An overview. Drug discovery today
-
Changeux, J. P. The concept of allosteric modulation: an overview. Drug discovery today Technologies 2013, 10, e223-228
-
(2013)
Technologies
, vol.10
, pp. 223-228
-
-
Changeux, J.P.1
-
10
-
-
11144358645
-
High frequency of mutations of the PIK3CA gene in human cancers
-
Samuels, Y.; Wang, Z.; Bardelli, A.; Silliman, N.; Ptak, J.; Szabo, S.; Yan, H.; Gazdar, A.; Powell, S. M.; Riggins, G. J.; Willson, J. K.; Markowitz, S.; Kinzler, K. W.; Vogelstein, B.; Velculescu, V. E. High frequency of mutations of the PIK3CA gene in human cancers Science 2004, 304, 554
-
(2004)
Science
, vol.304
, pp. 554
-
-
Samuels, Y.1
Wang, Z.2
Bardelli, A.3
Silliman, N.4
Ptak, J.5
Szabo, S.6
Yan, H.7
Gazdar, A.8
Powell, S.M.9
Riggins, G.J.10
Willson, J.K.11
Markowitz, S.12
Kinzler, K.W.13
Vogelstein, B.14
Velculescu, V.E.15
-
11
-
-
20444374445
-
Mutant PIK3CA promotes cell growth and invasion of human cancer cells
-
Samuels, Y.; Diaz, L. A., Jr.; Schmidt-Kittler, O.; Cummins, J. M.; Delong, L.; Cheong, I.; Rago, C.; Huso, D. L.; Lengauer, C.; Kinzler, K. W.; Vogelstein, B.; Velculescu, V. E. Mutant PIK3CA promotes cell growth and invasion of human cancer cells Cancer Cell 2005, 7, 561-573
-
(2005)
Cancer Cell
, vol.7
, pp. 561-573
-
-
Samuels, Y.1
Diaz, Jr.L.A.2
Schmidt-Kittler, O.3
Cummins, J.M.4
Delong, L.5
Cheong, I.6
Rago, C.7
Huso, D.L.8
Lengauer, C.9
Kinzler, K.W.10
Vogelstein, B.11
Velculescu, V.E.12
-
12
-
-
20144387695
-
PIK3CA mutations correlate with hormone receptors, node metastasis, and ERBB2, and are mutually exclusive with PTEN loss in human breast carcinoma
-
Saal, L. H.; Holm, K.; Maurer, M.; Memeo, L.; Su, T.; Wang, X.; Yu, J. S.; Malmstrom, P. O.; Mansukhani, M.; Enoksson, J.; Hibshoosh, H.; Borg, A.; Parsons, R. PIK3CA mutations correlate with hormone receptors, node metastasis, and ERBB2, and are mutually exclusive with PTEN loss in human breast carcinoma Cancer Res. 2005, 65, 2554-2559
-
(2005)
Cancer Res.
, vol.65
, pp. 2554-2559
-
-
Saal, L.H.1
Holm, K.2
Maurer, M.3
Memeo, L.4
Su, T.5
Wang, X.6
Yu, J.S.7
Malmstrom, P.O.8
Mansukhani, M.9
Enoksson, J.10
Hibshoosh, H.11
Borg, A.12
Parsons, R.13
-
13
-
-
84870680416
-
Clinical development of phosphatidylinositol 3-kinase inhibitors for cancer treatment
-
Brana, I.; Siu, L. L. Clinical development of phosphatidylinositol 3-kinase inhibitors for cancer treatment BMC Med. 2012, 10, 161
-
(2012)
BMC Med.
, vol.10
, pp. 161
-
-
Brana, I.1
Siu, L.L.2
-
14
-
-
84893875390
-
The structural basis of PI3K cancer mutations: From mechanism to therapy
-
Liu, S.; Knapp, S.; Ahmed, A. A. The structural basis of PI3K cancer mutations: from mechanism to therapy Cancer Res. 2014, 74, 641-646
-
(2014)
Cancer Res.
, vol.74
, pp. 641-646
-
-
Liu, S.1
Knapp, S.2
Ahmed, A.A.3
-
15
-
-
68249093818
-
Targeting the phosphoinositide 3-kinase pathway in cancer
-
Liu, P.; Cheng, H.; Roberts, T. M.; Zhao, J. J. Targeting the phosphoinositide 3-kinase pathway in cancer Nat. Rev. Drug Discovery 2009, 8, 627-644
-
(2009)
Nat. Rev. Drug Discovery
, vol.8
, pp. 627-644
-
-
Liu, P.1
Cheng, H.2
Roberts, T.M.3
Zhao, J.J.4
-
16
-
-
84907550640
-
PIK3CA mutations are associated with lower rates of pathologic complete response to anti-human epidermal growth factor receptor 2 (HER2) therapy in primary HER2-overexpressing breast cancer
-
Loibl, S.; von Minckwitz, G.; Schneeweiss, A.; Paepke, S.; Lehmann, A.; Rezai, M.; Zahm, D. M.; Sinn, P.; Khandan, F.; Eidtmann, H. PIK3CA mutations are associated with lower rates of pathologic complete response to anti-human epidermal growth factor receptor 2 (HER2) therapy in primary HER2-overexpressing breast cancer. J. Clin. Oncol. 2014.
-
(2014)
J. Clin. Oncol.
-
-
Loibl, S.1
Von Minckwitz, G.2
Schneeweiss, A.3
Paepke, S.4
Lehmann, A.5
Rezai, M.6
Zahm, D.M.7
Sinn, P.8
Khandan, F.9
Eidtmann, H.10
-
17
-
-
70350126139
-
A frequent kinase domain mutation that changes the interaction between PI3Kalpha and the membrane
-
Mandelker, D.; Gabelli, S. B.; Schmidt-Kittler, O.; Zhu, J.; Cheong, I.; Huang, C. H.; Kinzler, K. W.; Vogelstein, B.; Amzel, L. M. A frequent kinase domain mutation that changes the interaction between PI3Kalpha and the membrane Proc. Natl. Acad. Sci. U. S. A. 2009, 106, 16996-7001
-
(2009)
Proc. Natl. Acad. Sci. U. S. A.
, vol.106
, pp. 16996-17001
-
-
Mandelker, D.1
Gabelli, S.B.2
Schmidt-Kittler, O.3
Zhu, J.4
Cheong, I.5
Huang, C.H.6
Kinzler, K.W.7
Vogelstein, B.8
Amzel, L.M.9
-
18
-
-
37249056471
-
The structure of a human p110alpha/p85alpha complex elucidates the effects of oncogenic PI3Kalpha mutations
-
Huang, C. H.; Mandelker, D.; Schmidt-Kittler, O.; Samuels, Y.; Velculescu, V. E.; Kinzler, K. W.; Vogelstein, B.; Gabelli, S. B.; Amzel, L. M. The structure of a human p110alpha/p85alpha complex elucidates the effects of oncogenic PI3Kalpha mutations Science 2007, 318, 1744-1748
-
(2007)
Science
, vol.318
, pp. 1744-1748
-
-
Huang, C.H.1
Mandelker, D.2
Schmidt-Kittler, O.3
Samuels, Y.4
Velculescu, V.E.5
Kinzler, K.W.6
Vogelstein, B.7
Gabelli, S.B.8
Amzel, L.M.9
-
19
-
-
79951993684
-
Structure of lipid kinase p110beta/p85beta elucidates an unusual SH2-domain-mediated inhibitory mechanism
-
Zhang, X.; Vadas, O.; Perisic, O.; Anderson, K. E.; Clark, J.; Hawkins, P. T.; Stephens, L. R.; Williams, R. L. Structure of lipid kinase p110beta/p85beta elucidates an unusual SH2-domain-mediated inhibitory mechanism Mol. Cell 2011, 41, 567-578
-
(2011)
Mol. Cell
, vol.41
, pp. 567-578
-
-
Zhang, X.1
Vadas, O.2
Perisic, O.3
Anderson, K.E.4
Clark, J.5
Hawkins, P.T.6
Stephens, L.R.7
Williams, R.L.8
-
20
-
-
84864918733
-
Regulation of lipid binding underlies the activation mechanism of class IA PI3-kinases
-
Hon, W.-C.; Berndt, A.; Williams, R. Regulation of lipid binding underlies the activation mechanism of class IA PI3-kinases Oncogene 2012, 31, 3655-3666
-
(2012)
Oncogene
, vol.31
, pp. 3655-3666
-
-
Hon, W.-C.1
Berndt, A.2
Williams, R.3
-
21
-
-
84894084861
-
Crystal structures of PI3Kalpha complexed with PI103 and its derivatives: New directions for inhibitors design
-
Zhao, Y.; Zhang, X.; Chen, Y.; Lu, S.; Peng, Y.; Wang, X.; Guo, C.; Zhou, A.; Zhang, J.; Luo, Y.; Shen, Q.; Ding, J.; Meng, L. Crystal structures of PI3Kalpha complexed with PI103 and its derivatives: new directions for inhibitors design ACS Med. Chem. Lett. 2014, 5, 138-142
-
(2014)
ACS Med. Chem. Lett.
, vol.5
, pp. 138-142
-
-
Zhao, Y.1
Zhang, X.2
Chen, Y.3
Lu, S.4
Peng, Y.5
Wang, X.6
Guo, C.7
Zhou, A.8
Zhang, J.9
Luo, Y.10
Shen, Q.11
Ding, J.12
Meng, L.13
-
22
-
-
84921458817
-
Allosteric modulators of G protein-coupled receptors
-
Wells, G. J. Allosteric modulators of G protein-coupled receptors Curr. Top. Med. Chem. 2014, 14, 1735-7
-
(2014)
Curr. Top. Med. Chem.
, vol.14
, pp. 1735-1737
-
-
Wells, G.J.1
-
24
-
-
84857759143
-
The different ways through which specificity works in orthosteric and allosteric drugs
-
Nussinov, R.; Tsai, C. J. The different ways through which specificity works in orthosteric and allosteric drugs Curr. Pharm. Des. 2012, 18, 1311-1316
-
(2012)
Curr. Pharm. Des.
, vol.18
, pp. 1311-1316
-
-
Nussinov, R.1
Tsai, C.J.2
-
25
-
-
84876401041
-
Molecular mechanism of SSR128129E, an extracellularly acting, small-molecule, allosteric inhibitor of FGF receptor signaling
-
Herbert, C.; Schieborr, U.; Saxena, K.; Juraszek, J.; De Smet, F.; Alcouffe, C.; Bianciotto, M.; Saladino, G.; Sibrac, D.; Kudlinzki, D. Molecular mechanism of SSR128129E, an extracellularly acting, small-molecule, allosteric inhibitor of FGF receptor signaling Cancer Cell 2013, 23, 489-501
-
(2013)
Cancer Cell
, vol.23
, pp. 489-501
-
-
Herbert, C.1
Schieborr, U.2
Saxena, K.3
Juraszek, J.4
De Smet, F.5
Alcouffe, C.6
Bianciotto, M.7
Saladino, G.8
Sibrac, D.9
Kudlinzki, D.10
-
26
-
-
84906827756
-
Opportunities and challenges in the discovery of allosteric modulators of GPCRs for treating CNS disorders
-
Conn, P. J.; Lindsley, C. W.; Meiler, J.; Niswender, C. M. Opportunities and challenges in the discovery of allosteric modulators of GPCRs for treating CNS disorders Nat. Rev. Drug Discovery 2014, 13, 692-708
-
(2014)
Nat. Rev. Drug Discovery
, vol.13
, pp. 692-708
-
-
Conn, P.J.1
Lindsley, C.W.2
Meiler, J.3
Niswender, C.M.4
-
27
-
-
75749146563
-
Targeting Bcr-Abl by combining allosteric with ATP -binding-site inhibitors
-
Zhang, J.; Adrin, F. J.; Jahnke, W.; Cowan-Jacob, S. W.; Li, A. G.; Iacob, R. E.; Sim, T.; Powers, J.; Dierks, C. Targeting Bcr-Abl by combining allosteric with ATP -binding-site inhibitors Nature 2010, 463, 501-506
-
(2010)
Nature
, vol.463
, pp. 501-506
-
-
Zhang, J.1
Adrin, F.J.2
Jahnke, W.3
Cowan-Jacob, S.W.4
Li, A.G.5
Iacob, R.E.6
Sim, T.7
Powers, J.8
Dierks, C.9
-
28
-
-
84889564886
-
Activation and allosteric modulation of a muscarinic acetylcholine receptor
-
Kruse, A. C.; Ring, A. M.; Manglik, A.; Hu, J.; Hu, K.; Eitel, K.; Hubner, H.; Pardon, E.; Valant, C.; Sexton, P. M. Activation and allosteric modulation of a muscarinic acetylcholine receptor Nature 2013, 504, 101-6
-
(2013)
Nature
, vol.504
, pp. 101-106
-
-
Kruse, A.C.1
Ring, A.M.2
Manglik, A.3
Hu, J.4
Hu, K.5
Eitel, K.6
Hubner, H.7
Pardon, E.8
Valant, C.9
Sexton, P.M.10
-
29
-
-
84888333782
-
50 years of allosteric interactions: The twists and turns of the models
-
Changeux, J. P. 50 years of allosteric interactions: the twists and turns of the models Nat. Rev. Mol. Cell Biol. 2013, 14, 819-829
-
(2013)
Nat. Rev. Mol. Cell Biol.
, vol.14
, pp. 819-829
-
-
Changeux, J.P.1
-
30
-
-
1642357706
-
The many roles of computation in drug discovery
-
Jorgensen, W. L. The many roles of computation in drug discovery Science 2004, 303, 1813-1818
-
(2004)
Science
, vol.303
, pp. 1813-1818
-
-
Jorgensen, W.L.1
-
31
-
-
67649225348
-
Efficient drug lead discovery and optimization
-
Jorgensen, W. L. Efficient drug lead discovery and optimization Acc. Chem. Res. 2009, 42, 724-733
-
(2009)
Acc. Chem. Res.
, vol.42
, pp. 724-733
-
-
Jorgensen, W.L.1
-
32
-
-
0031320150
-
Computational approaches to molecular recognition
-
Lamb, M. L.; Jorgensen, W. L. Computational approaches to molecular recognition Curr. Opin. Chem. Biol. 1997, 1, 449-457
-
(1997)
Curr. Opin. Chem. Biol.
, vol.1
, pp. 449-457
-
-
Lamb, M.L.1
Jorgensen, W.L.2
-
33
-
-
0027136282
-
Comparative protein modelling by satisfaction of spatial restraints
-
Sali, A.; Blundell, T. Comparative protein modelling by satisfaction of spatial restraints J. Mol. Biol. 1993, 234, 779-815
-
(1993)
J. Mol. Biol.
, vol.234
, pp. 779-815
-
-
Sali, A.1
Blundell, T.2
-
34
-
-
84864464925
-
FTMAP: Extended protein mapping with user-selected probe molecules
-
Ngan, C. H.; Bohnuud, T.; Mottarella, S. E.; Beglov, D.; Villar, E. A.; Hall, D. R.; Kozakov, D.; Vajda, S. FTMAP: extended protein mapping with user-selected probe molecules Nucleic Acids Res. 2012, 40, W271-W275
-
(2012)
Nucleic Acids Res.
, vol.40
, pp. 271-W275
-
-
Ngan, C.H.1
Bohnuud, T.2
Mottarella, S.E.3
Beglov, D.4
Villar, E.A.5
Hall, D.R.6
Kozakov, D.7
Vajda, S.8
-
35
-
-
4444221565
-
UCSF Chimera - A visualization system for exploratory research and analysis
-
Pettersen, E. F.; Goddard, T. D.; Huang, C. C.; Couch, G. S.; Greenblatt, D. M.; Meng, E. C.; Ferrin, T. E. UCSF Chimera - a visualization system for exploratory research and analysis J. Comput. Chem. 2004, 25, 1605-1612
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1605-1612
-
-
Pettersen, E.F.1
Goddard, T.D.2
Huang, C.C.3
Couch, G.S.4
Greenblatt, D.M.5
Meng, E.C.6
Ferrin, T.E.7
-
36
-
-
46249092554
-
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
Hess, B.; Carsten, K.; David, v. d. S.; Erik, L. 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
Carsten, K.2
David, V.D.S.3
Erik, L.4
-
37
-
-
77953513118
-
Improved side-chain torsion potentials for the Amber ff99SB protein force field
-
Lindorff-Larsen, K.; Piana, S.; Palmo, K.; Maragakis, P.; Klepeis, J. L.; Dror, R. O.; Shaw, D. E. Improved side-chain torsion potentials for the Amber ff99SB protein force field Proteins 2010, 78, 1950-1958
-
(2010)
Proteins
, vol.78
, pp. 1950-1958
-
-
Lindorff-Larsen, K.1
Piana, S.2
Palmo, K.3
Maragakis, P.4
Klepeis, J.L.5
Dror, R.O.6
Shaw, D.E.7
-
38
-
-
0004016501
-
Comparison of Simple Potential Functions for Simulating Liquid Water
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. Comparison of Simple Potential Functions for Simulating Liquid Water J. Chem. Phys. 1983, 79, 926-935
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
40
-
-
33748538349
-
Automatic atom type and bond type perception in molecular mechanical calculations
-
Wang, J.; Wang, W.; Kollman, P. A.; Case, D. A. Automatic atom type and bond type perception in molecular mechanical calculations J. Mol. Graphics Modell. 2006, 25, 247-260
-
(2006)
J. Mol. Graphics Modell.
, vol.25
, pp. 247-260
-
-
Wang, J.1
Wang, W.2
Kollman, P.A.3
Case, D.A.4
-
41
-
-
2942532422
-
Development and testing of a general amber force field
-
Wang, J.; Wolf, R. M.; Caldwell, J. W.; Kollman, P. A.; Case, D. A. Development and testing of a general amber force field J. Comput. Chem. 2004, 25, 1157-1174
-
(2004)
J. Comput. Chem.
, vol.25
, pp. 1157-1174
-
-
Wang, J.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
42
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essmann, U.; Perera, L.; ML, B.; Darden, T.; Lee, M.; Pedersen, L. A smooth particle mesh Ewald method J. Chem. Phys. 1995, 103, 8577-8593
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Ml, B.3
Darden, T.4
Lee, M.5
Pedersen, L.6
-
43
-
-
84943502952
-
A molecular dynamics method for simulations in the canonical ensemble
-
Nose, S. A molecular dynamics method for simulations in the canonical ensemble Mol. Phys. 1984, 255-268
-
(1984)
Mol. Phys.
, pp. 255-268
-
-
Nose, S.1
-
44
-
-
0019707626
-
Polymorphic transitions in single crystals: A new molecular dynamics method
-
Parrinello, M.; Rahman, A. Polymorphic transitions in single crystals: A new molecular dynamics method J. Appl. Phys. 1981, 52, 7182-7190
-
(1981)
J. Appl. Phys.
, vol.52
, pp. 7182-7190
-
-
Parrinello, M.1
Rahman, A.2
-
45
-
-
0000388705
-
LINCS: A linear constraint solver for molecular simulations
-
Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G. E. M. LINCS: A linear constraint solver for molecular simulations J. Comput. Chem. 1997, 18, 1463-1472
-
(1997)
J. Comput. Chem.
, vol.18
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
46
-
-
0029878720
-
VMD: Visual molecular dynamics
-
Humphrey, W.; Dalke, A.; Schulten, K. VMD: visual molecular dynamics J. Mol. Graphics 1996, 14, 33-38
-
(1996)
J. Mol. Graphics
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
49
-
-
0033556236
-
Peptide folding: When simulation meets experiment
-
Daura, X.; Gademann; Jaun, B.; Seebach, D.; van Gunsteren, W.; Mark, A. Peptide folding: when simulation meets experiment Angew. Chem., Int. Ed. 1999, 38, 236-240
-
(1999)
Angew. Chem., Int. Ed.
, vol.38
, pp. 236-240
-
-
Daura, X.1
Gademann2
Jaun, B.3
Seebach, D.4
Van Gunsteren, W.5
Mark, A.6
-
50
-
-
0000577041
-
Large-amplitude nonlinear motions in proteins
-
Garcia, A. E. Large-amplitude nonlinear motions in proteins Phys. Rev. Lett. 1992, 68, 2696-2699
-
(1992)
Phys. Rev. Lett.
, vol.68
, pp. 2696-2699
-
-
Garcia, A.E.1
-
51
-
-
0027441950
-
Essential dynamics of proteins
-
Amadei, A.; Linssen, A. B.; Berendsen, H. J. Essential dynamics of proteins Proteins 1993, 17, 412-425
-
(1993)
Proteins
, vol.17
, pp. 412-425
-
-
Amadei, A.1
Linssen, A.B.2
Berendsen, H.J.3
-
52
-
-
84934444735
-
Normal modes and essential dynamics
-
Hayward, S.; de Groot, B. L. Normal modes and essential dynamics Methods Mol. Biol. 2008, 443, 89-106
-
(2008)
Methods Mol. Biol.
, vol.443
, pp. 89-106
-
-
Hayward, S.1
De Groot, B.L.2
-
53
-
-
84872012970
-
Molecular mechanism of allosteric communication in Hsp70 revealed by molecular dynamics simulations
-
Chiappori, F.; Merelli, I.; Colombo, G.; Milanesi, L.; Morra, G. Molecular mechanism of allosteric communication in Hsp70 revealed by molecular dynamics simulations PLoS Comput. Biol. 2012, 8, e1002844
-
(2012)
PLoS Comput. Biol.
, vol.8
, pp. 1002844
-
-
Chiappori, F.1
Merelli, I.2
Colombo, G.3
Milanesi, L.4
Morra, G.5
-
54
-
-
84908347335
-
Investigating the structure and dynamics of the PIK3CA Wild-Type and H1047R oncogenic mutant
-
10(10):e1003895
-
Gkeka, P.; Evangelidis, T.; Lazani, V.; Christoforidis, S.; Pavlaki, M.; Agianian, B.; Cournia, Z. Investigating the structure and dynamics of the PIK3CA Wild-Type and H1047R oncogenic mutant PLoS Comput. Biol. 2014, 10, 10(10):e1003895
-
(2014)
PLoS Comput. Biol.
, vol.10
-
-
Gkeka, P.1
Evangelidis, T.2
Lazani, V.3
Christoforidis, S.4
Pavlaki, M.5
Agianian, B.6
Cournia, Z.7
-
55
-
-
79952113385
-
Structural effects of oncogenic PI3Kalpha mutations
-
Gabelli, S. B.; Huang, C. H.; Mandelker, D.; Schmidt-Kittler, O.; Vogelstein, B.; Amzel, L. M. Structural effects of oncogenic PI3Kalpha mutations Curr. Top. Microbiol. Immunol. 2010, 347, 43-53
-
(2010)
Curr. Top. Microbiol. Immunol.
, vol.347
, pp. 43-53
-
-
Gabelli, S.B.1
Huang, C.H.2
Mandelker, D.3
Schmidt-Kittler, O.4
Vogelstein, B.5
Amzel, L.M.6
-
56
-
-
84856694630
-
The different flexibility of c-Src and c-Abl kinases regulates the accessibility of a druggable inactive conformation
-
Lovera, S.; Sutto, L.; Boubeva, R.; Scapozza, L.; Dolker, N.; Gervasio, F. L. The different flexibility of c-Src and c-Abl kinases regulates the accessibility of a druggable inactive conformation J. Am. Chem. Soc. 2012, 134, 2496-2499
-
(2012)
J. Am. Chem. Soc.
, vol.134
, pp. 2496-2499
-
-
Lovera, S.1
Sutto, L.2
Boubeva, R.3
Scapozza, L.4
Dolker, N.5
Gervasio, F.L.6
-
57
-
-
84876355112
-
Inhibition of tumor angiogenesis and growth by a small-molecule multi-FGF receptor blocker with allosteric properties
-
Bono, F.; De Smet, F.; Herbert, C.; De Bock, K.; Georgiadou, M.; Fons, P.; Tjwa, M.; Alcouffe, C.; Ny, A. Inhibition of tumor angiogenesis and growth by a small-molecule multi-FGF receptor blocker with allosteric properties Cancer Cell 2013, 23, 477-488
-
(2013)
Cancer Cell
, vol.23
, pp. 477-488
-
-
Bono, F.1
De Smet, F.2
Herbert, C.3
De Bock, K.4
Georgiadou, M.5
Fons, P.6
Tjwa, M.7
Alcouffe, C.8
Ny, A.9
-
58
-
-
84876494489
-
The mechanism of allosteric coupling in choline kinase alpha1 revealed by the action of a rationally designed inhibitor
-
Sahun-Roncero, M.; Rubio-Ruiz, B.; Saladino, G.; Conejo-Garcia, A.; Espinosa, A.; Velazquez-Campoy, A.; Gervasio, F. L.; Entrena, A.; Hurtado-Guerrero, R. The mechanism of allosteric coupling in choline kinase alpha1 revealed by the action of a rationally designed inhibitor Angew. Chem., Int. Ed. Engl. 2013, 52, 4582-4586
-
(2013)
Angew. Chem., Int. Ed. Engl.
, vol.52
, pp. 4582-4586
-
-
Sahun-Roncero, M.1
Rubio-Ruiz, B.2
Saladino, G.3
Conejo-Garcia, A.4
Espinosa, A.5
Velazquez-Campoy, A.6
Gervasio, F.L.7
Entrena, A.8
Hurtado-Guerrero, R.9
-
59
-
-
0033634827
-
Structural determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin, and staurosporine
-
Walker, E. H.; Pacold, M. E.; Perisic, O.; Stephens, L.; Hawkins, P. T.; Wymann, M. P.; Williams, R. L. Structural determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin, and staurosporine Mol. Cell 2000, 6, 909-919
-
(2000)
Mol. Cell
, vol.6
, pp. 909-919
-
-
Walker, E.H.1
Pacold, M.E.2
Perisic, O.3
Stephens, L.4
Hawkins, P.T.5
Wymann, M.P.6
Williams, R.L.7
-
60
-
-
84867744642
-
Exploiting protein flexibility to predict the location of allosteric sites
-
Panjkovich, A.; Daura, X. Exploiting protein flexibility to predict the location of allosteric sites BMC Bioinf. 2012, 13, 273
-
(2012)
BMC Bioinf.
, vol.13
, pp. 273
-
-
Panjkovich, A.1
Daura, X.2
-
61
-
-
34547918336
-
Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor v
-
Segers, K.; Sperandio, O.; Sack, M.; Fischer, R.; Miteva, M.; Rosing, J.; Nicolaes, G.; Villoutreix, B., Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V. Proc. Natl. Acad. Sci. U. S. A. 104, 12697-12702.
-
Proc. Natl. Acad. Sci. U. S. A.
, vol.104
, pp. 12697-12702
-
-
Segers, K.1
Sperandio, O.2
Sack, M.3
Fischer, R.4
Miteva, M.5
Rosing, J.6
Nicolaes, G.7
Villoutreix, B.8
-
62
-
-
5444228851
-
Disruption of protein-membrane binding and identification of small-molecule inhibitors of coagulation factor VIII
-
Spiegel, P.; Kaiser, S.; Simon, J.; Stoddard, B. Disruption of protein-membrane binding and identification of small-molecule inhibitors of coagulation factor VIII Chem. Biol. 2004, 11, 1413-1422
-
(2004)
Chem. Biol.
, vol.11
, pp. 1413-1422
-
-
Spiegel, P.1
Kaiser, S.2
Simon, J.3
Stoddard, B.4
|