-
1
-
-
33645830172
-
A surface glycoprotein modulating drug permeability in Chinese hamster ovary cell mutants
-
Juliano, R. L.; Ling, V. A surface glycoprotein modulating drug permeability in Chinese hamster ovary cell mutants Biochim. Biophys. Acta 1976, 455, 152
-
(1976)
Biochim. Biophys. Acta
, vol.455
, pp. 152
-
-
Juliano, R.L.1
Ling, V.2
-
2
-
-
0031455482
-
The P-glycoprotein Efflux Pump: How Does it Transport Drugs?
-
Sharom, F. J. The P-glycoprotein Efflux Pump: How Does it Transport Drugs? J. Membr. Biol. 1997, 160, 161-175
-
(1997)
J. Membr. Biol.
, vol.160
, pp. 161-175
-
-
Sharom, F.J.1
-
3
-
-
0029559159
-
The catalytic cycle of P-glycoprotein
-
Senior, A. E.; Al-Shawi, M. K.; Urbatsch, I. L. The catalytic cycle of P-glycoprotein FEBS Lett. 1995, 377, 285-289
-
(1995)
FEBS Lett.
, vol.377
, pp. 285-289
-
-
Senior, A.E.1
Al-Shawi, M.K.2
Urbatsch, I.L.3
-
4
-
-
0346887115
-
Structure and function of efflux pumps that confer resistance to drugs
-
Borges-Walmsley, M. I.; McKeegan, K. S.; Walmsley, A. R. Structure and function of efflux pumps that confer resistance to drugs Biochem. J. 2003, 376, 313-338
-
(2003)
Biochem. J.
, vol.376
, pp. 313-338
-
-
Borges-Walmsley, M.I.1
McKeegan, K.S.2
Walmsley, A.R.3
-
5
-
-
0028342805
-
Unidirectional fluxes of rhodamine 123 in multidrug-resistant cells: Evidence against direct drug extrusion from the plasma membrane
-
Altenberg, G. A.; Vanoye, C. G.; Horton, J. K.; Reuss, L.; Julie, K. Unidirectional fluxes of rhodamine 123 in multidrug-resistant cells: evidence against direct drug extrusion from the plasma membrane Proc. Natl. Acad. Sci. U. S. A. 1994, 91, 4654-4657
-
(1994)
Proc. Natl. Acad. Sci. U. S. A.
, vol.91
, pp. 4654-4657
-
-
Altenberg, G.A.1
Vanoye, C.G.2
Horton, J.K.3
Reuss, L.4
Julie, K.5
-
7
-
-
0025193531
-
Photosensitized labeling of a functional multidrug transporter in living drug-resistant tumor cells
-
Raviv, Y.; Pollard, H. B.; Bruggemann, E. P.; Pastan, I.; Gottesman, M. M. Photosensitized labeling of a functional multidrug transporter in living drug-resistant tumor cells J. Biol. Chem. 1990, 265, 3975-3980
-
(1990)
J. Biol. Chem.
, vol.265
, pp. 3975-3980
-
-
Raviv, Y.1
Pollard, H.B.2
Bruggemann, E.P.3
Pastan, I.4
Gottesman, M.M.5
-
8
-
-
0033602840
-
The membrane lipid environment modulates drug interactions with the P-glycoprotein multidrug transporter
-
Romsicki, Y.; Sharom, F. J. The membrane lipid environment modulates drug interactions with the P-glycoprotein multidrug transporter Biochemistry 1999, 38, 6887-6896
-
(1999)
Biochemistry
, vol.38
, pp. 6887-6896
-
-
Romsicki, Y.1
Sharom, F.J.2
-
9
-
-
66149139241
-
Opening of the ADP-bound active site in the ABC transporter ATPase dimer: Evidence for a constant contact, alternating sites model for the catalytic cycle
-
Jones, P. M.; George, A. M. Opening of the ADP-bound active site in the ABC transporter ATPase dimer: Evidence for a constant contact, alternating sites model for the catalytic cycle Proteins 2009, 75, 387-396
-
(2009)
Proteins
, vol.75
, pp. 387-396
-
-
Jones, P.M.1
George, A.M.2
-
10
-
-
31844448665
-
The translocation mechanism of P-glycoprotein
-
Callaghan, R.; Ford, R. C.; Kerr, I. D. The translocation mechanism of P-glycoprotein FEBS Lett. 2006, 580, 1056-1063
-
(2006)
FEBS Lett.
, vol.580
, pp. 1056-1063
-
-
Callaghan, R.1
Ford, R.C.2
Kerr, I.D.3
-
11
-
-
0034601776
-
Drug Binding Sites on P-Glycoprotein Are Altered by ATP Binding Prior to Nucleotide Hydrolysis
-
Martin, C.; Berridge, G.; Mistry, P.; Higgins, C.; Charlton, P.; Callaghan, R. Drug Binding Sites on P-Glycoprotein Are Altered by ATP Binding Prior to Nucleotide Hydrolysis Biochemistry 2000, 39, 11901-11906
-
(2000)
Biochemistry
, vol.39
, pp. 11901-11906
-
-
Martin, C.1
Berridge, G.2
Mistry, P.3
Higgins, C.4
Charlton, P.5
Callaghan, R.6
-
12
-
-
17544365536
-
The role of passive transbilayer drug movement in multidrug resistance and its modulation
-
Eytan, G. D.; Regev, R.; Oren, G.; Assaraf, Y. G. The role of passive transbilayer drug movement in multidrug resistance and its modulation J. Biol. Chem. 1995, 271, 12897-12902
-
(1995)
J. Biol. Chem.
, vol.271
, pp. 12897-12902
-
-
Eytan, G.D.1
Regev, R.2
Oren, G.3
Assaraf, Y.G.4
-
13
-
-
0028831929
-
Effects of lipids on ATPase activity of purified Chinese hamster P-glycoprotein
-
Urbatsch, I. L.; Senior, A. E. Effects of lipids on ATPase activity of purified Chinese hamster P-glycoprotein Arch. Biochem. Biophys. 1995, 316, 135-140
-
(1995)
Arch. Biochem. Biophys.
, vol.316
, pp. 135-140
-
-
Urbatsch, I.L.1
Senior, A.E.2
-
14
-
-
33744483102
-
P-glycoprotein and lipid rafts: Some ambiguous mutual relationships (floating on them, building them or meeting them by chance?)
-
Orlowski, S.; Martin, S.; Escargueil, A. P-glycoprotein and lipid rafts: some ambiguous mutual relationships (floating on them, building them or meeting them by chance?) Cell. Mol. Life Sci. 2006, 63, 1038-1059
-
(2006)
Cell. Mol. Life Sci.
, vol.63
, pp. 1038-1059
-
-
Orlowski, S.1
Martin, S.2
Escargueil, A.3
-
15
-
-
0032956955
-
Mechanism of Action of P-Glycoprotein in Relation to Passive Membrane Permeation
-
Eytan, G.; Kuchel, P. Mechanism of Action of P-Glycoprotein in Relation to Passive Membrane Permeation Int. Rev. Cytol. 1999, 190, 175-250
-
(1999)
Int. Rev. Cytol.
, vol.190
, pp. 175-250
-
-
Eytan, G.1
Kuchel, P.2
-
16
-
-
36249004263
-
Modulation of P-glycoprotein-mediated multidrug resistance by acceleration of passive drug permeation across the plasma membrane
-
Regev, R.; Katzir, H.; Yeheskely-Hayon, D.; Eytan, G. D. Modulation of P-glycoprotein-mediated multidrug resistance by acceleration of passive drug permeation across the plasma membrane FEBS Lett. 2007, 274, 6204-6214
-
(2007)
FEBS Lett.
, vol.274
, pp. 6204-6214
-
-
Regev, R.1
Katzir, H.2
Yeheskely-Hayon, D.3
Eytan, G.D.4
-
17
-
-
0038364008
-
Lipid-protein interactions in biological membranes: A structural perspective
-
Lee, A. G. Lipid-protein interactions in biological membranes: a structural perspective Biochim. Biophys. Acta 2003, 1612, 1-40
-
(2003)
Biochim. Biophys. Acta
, vol.1612
, pp. 1-40
-
-
Lee, A.G.1
-
18
-
-
69849099831
-
Lipid dependence of ABC transporter localization and function
-
Klappe, K.; Hummel, I.; Hoekstra, D.; Kok, J. W. Lipid dependence of ABC transporter localization and function Chem. Phys. Lipids. 2009, 161, 57-64
-
(2009)
Chem. Phys. Lipids.
, vol.161
, pp. 57-64
-
-
Klappe, K.1
Hummel, I.2
Hoekstra, D.3
Kok, J.W.4
-
19
-
-
0037052565
-
The E. coli BtuCD structure: A framework for ABC transporter architecture and mechanism
-
Locher, K. P.; Lee, A. T.; Rees, D. C. The E. coli BtuCD structure: A framework for ABC transporter architecture and mechanism Science 2002, 296, 1091-1098
-
(2002)
Science
, vol.296
, pp. 1091-1098
-
-
Locher, K.P.1
Lee, A.T.2
Rees, D.C.3
-
20
-
-
0033954256
-
The Protein Data Bank
-
Berman, H. M.; Westbrook, J.; Feng, Z.; Gilliland, G.; Bhat, T. N.; Weissig, H.; Shindyalov, I. N.; Bourne, P. E. 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
-
21
-
-
0036616218
-
The Protein Data Bank
-
Berman, H. M.; Battistuz, T.; Bhat, T. N.; Bluhm, W. F.; Bourne, P. E.; Burkhardt, K.; Feng, Z.; Gilliland, G. L.; Iype, L.; Jain, S.; Fagan, P.; Marvin, J.; Padilla, D.; Ravichandran, V.; Schneider, B.; Thanki, N.; Weissig, H.; Westbrook, J. D.; Zardecki, C. The Protein Data Bank Acta Crystallogr., Sect. D: Biol. Crystallogr. 2002, 58, 899-907
-
(2002)
Acta Crystallogr., Sect. D: Biol. Crystallogr.
, vol.58
, pp. 899-907
-
-
Berman, H.M.1
Battistuz, T.2
Bhat, T.N.3
Bluhm, W.F.4
Bourne, P.E.5
Burkhardt, K.6
Feng, Z.7
Gilliland, G.L.8
Iype, L.9
Jain, S.10
Fagan, P.11
Marvin, J.12
Padilla, D.13
Ravichandran, V.14
Schneider, B.15
Thanki, N.16
Weissig, H.17
Westbrook, J.D.18
Zardecki, C.19
-
22
-
-
63449139456
-
Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding
-
Aller, S. G.; Yu, J.; Ward, A.; Weng, Y.; Chittaboina, S.; Zhuo, R.; Harrell, P. M.; Trinh, Y. T.; Zhang, Q.; Urbatsch, I. L.; Chang, G. Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding Science 2009, 323, 1718-1722
-
(2009)
Science
, vol.323
, pp. 1718-1722
-
-
Aller, S.G.1
Yu, J.2
Ward, A.3
Weng, Y.4
Chittaboina, S.5
Zhuo, R.6
Harrell, P.M.7
Trinh, Y.T.8
Zhang, Q.9
Urbatsch, I.L.10
Chang, G.11
-
23
-
-
67650097355
-
Transmembrane helix 12 modulates progression of the ATP catalytic cycle in ABCB1
-
Crowley, E.; OMara, M. L.; Reynolds, C.; Tieleman, D. P.; Storm, J.; Kerr, I. D.; Callaghan, R. Transmembrane helix 12 modulates progression of the ATP catalytic cycle in ABCB1 Biochemistry 2009, 48, 6249-6258
-
(2009)
Biochemistry
, vol.48
, pp. 6249-6258
-
-
Crowley, E.1
Omara, M.L.2
Reynolds, C.3
Tieleman, D.P.4
Storm, J.5
Kerr, I.D.6
Callaghan, R.7
-
24
-
-
4544284056
-
The coupling mechanism of P-glycoprotein involves residue L339 in the sixth membrane spanning segment
-
Rothnie, A.; Storm, J.; Campbell, J.; Linton, K. J.; Kerr, I. D.; Callaghan, R. The coupling mechanism of P-glycoprotein involves residue L339 in the sixth membrane spanning segment J. Biol. Chem. 2004, 279, 34913-34990
-
(2004)
J. Biol. Chem.
, vol.279
, pp. 34913-34990
-
-
Rothnie, A.1
Storm, J.2
Campbell, J.3
Linton, K.J.4
Kerr, I.D.5
Callaghan, R.6
-
25
-
-
41549102797
-
Computational models for prediction of interactions with ABC-transporters
-
Ecker, G. F.; Stockner, T.; Chiba, P. Computational models for prediction of interactions with ABC-transporters Drug Discovery Today 2008, 13, 311-317
-
(2008)
Drug Discovery Today
, vol.13
, pp. 311-317
-
-
Ecker, G.F.1
Stockner, T.2
Chiba, P.3
-
26
-
-
33748644877
-
Structure of a bacterial multidrug ABC transporter
-
Dawson, R. J.; Locher, K. P. Structure of a bacterial multidrug ABC transporter Nature 2006, 443, 180-185
-
(2006)
Nature
, vol.443
, pp. 180-185
-
-
Dawson, R.J.1
Locher, K.P.2
-
27
-
-
34548133239
-
P-glycoprotein models of the apo and ATP-bound states based on homology with Sav1866 and MalK
-
OMara, M. L.; Tieleman, D. P. P-glycoprotein models of the apo and ATP-bound states based on homology with Sav1866 and MalK FEBS Lett. 2007, 581, 4217-4222
-
(2007)
FEBS Lett.
, vol.581
, pp. 4217-4222
-
-
Omara, M.L.1
Tieleman, D.P.2
-
28
-
-
37649004412
-
Flexibility in the ABC transporter MsbA: Alternating access with a twist
-
Ward, A.; Reyes, C. L.; Yu, J.; Roth, C. B.; Chang, G. Flexibility in the ABC transporter MsbA: Alternating access with a twist Proc. Natl. Acad. Sci. U. S. A. 2007, 104, 19005-19010
-
(2007)
Proc. Natl. Acad. Sci. U. S. A.
, vol.104
, pp. 19005-19010
-
-
Ward, A.1
Reyes, C.L.2
Yu, J.3
Roth, C.B.4
Chang, G.5
-
29
-
-
75149147634
-
Multidrug efflux pumps: Drug binding - Gates or cavity?
-
Crowley, E.; Callaghan, R. Multidrug efflux pumps: drug binding - gates or cavity? FEBS J. 2010, 277, 530-539
-
(2010)
FEBS J.
, vol.277
, pp. 530-539
-
-
Crowley, E.1
Callaghan, R.2
-
30
-
-
34247571894
-
Retraction of "structure of MsbA from Vibrio cholera: A Multidrug Resistance ABC Transporter Homolog in a Closed Conformation" [J. Mol. Biol. (2003) 330 419-430]
-
Chang, G. Retraction of "Structure of MsbA from Vibrio cholera: A Multidrug Resistance ABC Transporter Homolog in a Closed Conformation" [J. Mol. Biol. (2003) 330 419-430] J. Mol. Biol. 2007, 369, 596
-
(2007)
J. Mol. Biol.
, vol.369
, pp. 596
-
-
Chang, G.1
-
31
-
-
33847134349
-
Structure of the multidrug ABC transporter Sav1866 from Staphylococcus aureus in complex with AMP-PNP
-
Dawson, R. J.; Locher, K. P. Structure of the multidrug ABC transporter Sav1866 from Staphylococcus aureus in complex with AMP-PNP FEBS Lett. 2007, 581, 935-938
-
(2007)
FEBS Lett.
, vol.581
, pp. 935-938
-
-
Dawson, R.J.1
Locher, K.P.2
-
32
-
-
18644362391
-
Structural basis of energy transduction in the transport cycle of MsbA
-
Dong, J.; Yang, G.; McHaourab, H. S. Structural basis of energy transduction in the transport cycle of MsbA Science 2005, 308, 1023-1028
-
(2005)
Science
, vol.308
, pp. 1023-1028
-
-
Dong, J.1
Yang, G.2
McHaourab, H.S.3
-
33
-
-
17944370228
-
Repacking of the transmembrane domains of P-glycoprotein during the transport ATPase cycle
-
Rosenberg, M. F.; Velarde, G.; Ford, R. C.; Martin, C.; Berridge, G.; Kerr, I. D.; Callaghan, R.; Schmidlin, A.; Wooding, C.; Linton, K. J.; Higgins, C. F. Repacking of the transmembrane domains of P-glycoprotein during the transport ATPase cycle EMBO J. 2001, 20, 5615-5625
-
(2001)
EMBO J.
, vol.20
, pp. 5615-5625
-
-
Rosenberg, M.F.1
Velarde, G.2
Ford, R.C.3
Martin, C.4
Berridge, G.5
Kerr, I.D.6
Callaghan, R.7
Schmidlin, A.8
Wooding, C.9
Linton, K.J.10
Higgins, C.F.11
-
34
-
-
13244292479
-
Three-dimensional structure of P-glycoprotein: The transmembrane regions adopt an asymmetric configuration in the nucleotide-bound state
-
Rosenberg, M. F.; Callaghan, R.; Modok, S.; Higgins, C. F.; Ford, R. C. Three-dimensional structure of P-glycoprotein: the transmembrane regions adopt an asymmetric configuration in the nucleotide-bound state J. Biol. Chem. 2005, 280, 2857-2862
-
(2005)
J. Biol. Chem.
, vol.280
, pp. 2857-2862
-
-
Rosenberg, M.F.1
Callaghan, R.2
Modok, S.3
Higgins, C.F.4
Ford, R.C.5
-
35
-
-
79955741987
-
Conformational changes induced by ATP-hydrolysis in an ABC transporter: A molecular dynamics study of the Sav1866 exporter
-
Oliveira, A. S.; Baptista, A. M.; Soares, C. M. Conformational changes induced by ATP-hydrolysis in an ABC transporter: a molecular dynamics study of the Sav1866 exporter Proteins 2011, 79, 1977-1990
-
(2011)
Proteins
, vol.79
, pp. 1977-1990
-
-
Oliveira, A.S.1
Baptista, A.M.2
Soares, C.M.3
-
36
-
-
79959352522
-
Structural consequences of ATP hydrolysis on the ABC transporter NBD dimer: Molecular dynamics studies of HlyB
-
Damas, J. M.; Oliveira, A. S.; Baptista, A. M.; Soares, C. M. Structural consequences of ATP hydrolysis on the ABC transporter NBD dimer: Molecular dynamics studies of HlyB Protein Sci. 2011, 20, 1220-1230
-
(2011)
Protein Sci.
, vol.20
, pp. 1220-1230
-
-
Damas, J.M.1
Oliveira, A.S.2
Baptista, A.M.3
Soares, C.M.4
-
37
-
-
63349106226
-
Molecular models of human P-glycoprotein in two different catalytic states
-
Becker, J.-P.; Depret, G.; Van Bambeke, F.; Tulkens, P. M.; Prévost, M.; Bambeke, F. V. Molecular models of human P-glycoprotein in two different catalytic states BMC Struct. Biol. 2009, 9, 1-18
-
(2009)
BMC Struct. Biol.
, vol.9
, pp. 1-18
-
-
Becker, J.-P.1
Depret, G.2
Van Bambeke, F.3
Tulkens, P.M.4
Prévost, M.5
Bambeke, F.V.6
-
38
-
-
79959833862
-
Predicting binding to P-Glycoprotein by Flexible Receptor Docking
-
10.1371/journal.pcbi.1002083
-
Dolghih, E.; Bryant, C.; Renslo, A. R.; Jacobson, M. P. Predicting binding to P-Glycoprotein by Flexible Receptor Docking PLoS Comput. Biol. 2011, 7, e1002083 10.1371/journal.pcbi.1002083
-
(2011)
PLoS Comput. Biol.
, vol.7
, pp. 1002083
-
-
Dolghih, E.1
Bryant, C.2
Renslo, A.R.3
Jacobson, M.P.4
-
39
-
-
79952272763
-
Probing the stereoselectivity of P-glycoprotein-synthesis, biological activity and ligand docking studies of a set of enantiopure benzopyrano[3,4-b] [1,4]oxazines
-
Jabeen, I.; Wetwitayaklung, P.; Klepsch, F.; Parveen, Z.; Chiba, P.; Ecker, G. F. Probing the stereoselectivity of P-glycoprotein-synthesis, biological activity and ligand docking studies of a set of enantiopure benzopyrano[3,4-b][1,4]oxazines Chem. Commun. (Camb.) 2011, 47, 2586-2588
-
(2011)
Chem. Commun. (Camb.)
, vol.47
, pp. 2586-2588
-
-
Jabeen, I.1
Wetwitayaklung, P.2
Klepsch, F.3
Parveen, Z.4
Chiba, P.5
Ecker, G.F.6
-
40
-
-
0019430432
-
Overcoming of Vincristine Resistance in P388 Leukemia in Vivo and in Vitro through Enhanced Cytotoxicity of Vincristine and Vinblastine by Verapamil
-
Tsuruo, T.; Lida, H.; Tsukagoshi, S.; Sakurai, Y. Overcoming of Vincristine Resistance in P388 Leukemia in Vivo and in Vitro through Enhanced Cytotoxicity of Vincristine and Vinblastine by Verapamil Cancer Res. 1981, 41, 1967-1972
-
(1981)
Cancer Res.
, vol.41
, pp. 1967-1972
-
-
Tsuruo, T.1
Lida, H.2
Tsukagoshi, S.3
Sakurai, Y.4
-
41
-
-
0035863315
-
In vitro and in vivo reversal of P-glycoprotein-mediated multidrug resistance by a novel potent modulator, XR9576
-
Mistry, P.; Stewart, A. J.; Dangerfield, W.; Okiji, S.; Liddle, C.; Bootle, D.; Plumb, J. a.; Templeton, D.; Charlton, P. In vitro and in vivo reversal of P-glycoprotein-mediated multidrug resistance by a novel potent modulator, XR9576 Cancer Res. 2001, 61, 749-758
-
(2001)
Cancer Res.
, vol.61
, pp. 749-758
-
-
Mistry, P.1
Stewart, A.J.2
Dangerfield, W.3
Okiji, S.4
Liddle, C.5
Bootle, D.6
P, J.A.7
Templeton, D.8
Charlton, P.9
-
42
-
-
0032578434
-
Structural flexibility of the linker region of human P-glycoprotein permits ATP hydrolysis and drug transport
-
Hrycyna, C. A.; Airan, L. E.; Germann, U. A.; Ambudkar, S. V.; Pastan, I.; Gottesman, M. M. Structural flexibility of the linker region of human P-glycoprotein permits ATP hydrolysis and drug transport Biochemistry 1998, 37, 13660-13673
-
(1998)
Biochemistry
, vol.37
, pp. 13660-13673
-
-
Hrycyna, C.A.1
Airan, L.E.2
Germann, U.A.3
Ambudkar, S.V.4
Pastan, I.5
Gottesman, M.M.6
-
43
-
-
67650498383
-
Functional role of the linker region in purified human P-glycoprotein
-
Sato, T.; Kodan, A.; Kimura, Y.; Ueda, K.; Nakatsu, T.; Kato, H. Functional role of the linker region in purified human P-glycoprotein FEBS J. 2009, 276, 3504-3516
-
(2009)
FEBS J.
, vol.276
, pp. 3504-3516
-
-
Sato, T.1
Kodan, A.2
Kimura, Y.3
Ueda, K.4
Nakatsu, T.5
Kato, H.6
-
44
-
-
0008819754
-
The GROMOS Biomolecular Simulation Program Package
-
Scott, W. R. P.; Hunenberger, P. H.; Tironi, I. G.; Mark, A. E.; Billeter, S. R.; Fennen, J.; Torda, A. E.; Huber, T.; Kruger, P.; van Gunsteren, W. F. The GROMOS Biomolecular Simulation Program Package J. Phys. Chem. A 1999, 103, 3596-3607
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3596-3607
-
-
Scott, W.R.P.1
Hunenberger, P.H.2
Tironi, I.G.3
Mark, A.E.4
Billeter, S.R.5
Fennen, J.6
Torda, A.E.7
Huber, T.8
Kruger, P.9
Van Gunsteren, W.F.10
-
45
-
-
0034206335
-
The GROMOS96 benchmarks for molecular simulation
-
Bonvin, A. M.; Mark, A. E.; van Gunsteren, W. F. The GROMOS96 benchmarks for molecular simulation Comput. Phys. Commun. 2000, 128, 550-557
-
(2000)
Comput. Phys. Commun.
, vol.128
, pp. 550-557
-
-
Bonvin, A.M.1
Mark, A.E.2
Van Gunsteren, W.F.3
-
46
-
-
4444282928
-
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
-
Oostenbrink, C.; Villa, A.; Mark, A. E.; van Gunsteren, W. F. 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
-
47
-
-
77950101403
-
On the Validation of Molecular Dynamics Simulations of Saturated and cis-Monounsaturated Phosphatidylcholine Lipid Bilayers: A Comparison with Experiment
-
Poger, D.; Mark, A. E. On the Validation of Molecular Dynamics Simulations of Saturated and cis-Monounsaturated Phosphatidylcholine Lipid Bilayers: A Comparison with Experiment J. Chem. Theory Comput. 2010, 6, 325-336
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 325-336
-
-
Poger, D.1
Mark, A.E.2
-
48
-
-
77950590441
-
A new force field for simulating phosphatidylcholine bilayers
-
Poger, D.; Van Gunsteren, W. F.; Mark, A. E. A new force field for simulating phosphatidylcholine bilayers J. Comput. Chem. 2010, 31, 1117-1125
-
(2010)
J. Comput. Chem.
, vol.31
, pp. 1117-1125
-
-
Poger, D.1
Van Gunsteren, W.F.2
Mark, A.E.3
-
49
-
-
0030999097
-
Molecular Dynamics Simulations of a Fluid Bilayer of Dipalmitoylphosphatidylcholine at Full Hydration, Constant Pressure, and Constant Temperature
-
Berger, O.; Edholm, O.; Jahnig, F. Molecular Dynamics Simulations of a Fluid Bilayer of Dipalmitoylphosphatidylcholine at Full Hydration, Constant Pressure, and Constant Temperature Biophys. J. 1997, 72, 2002-2013
-
(1997)
Biophys. J.
, vol.72
, pp. 2002-2013
-
-
Berger, O.1
Edholm, O.2
Jahnig, F.3
-
50
-
-
0029099308
-
Incorporation of Surface Tension into Molecular Dynamics Simulation of Interface: A Fluid Phase Lipid Bilayer Membrane
-
Chiu, S.-W.; Clark, M. A.; Balaji, V.; Subramaniam, S.; Scott, H. L.; Jakobsson, E. Incorporation of Surface Tension into Molecular Dynamics Simulation of Interface: A Fluid Phase Lipid Bilayer Membrane Biophys. J. 1995, 69, 1230-1245
-
(1995)
Biophys. J.
, vol.69
, pp. 1230-1245
-
-
Chiu, S.-W.1
Clark, M.A.2
Balaji, V.3
Subramaniam, S.4
Scott, H.L.5
Jakobsson, E.6
-
51
-
-
65249151900
-
Lipid models for United-atom Molecular Dynamics Simulations of Proteins
-
Kukol, A. Lipid models for United-atom Molecular Dynamics Simulations of Proteins J. Chem. Theory Comput. 2009, 5, 615-626
-
(2009)
J. Chem. Theory Comput.
, vol.5
, pp. 615-626
-
-
Kukol, A.1
-
52
-
-
0037569250
-
A consistent potential energy parameter set for lipids: Dipalmitoylphospha-tidylcholine as a benchmark of the GROMOS96 45A3 force field
-
Chandrasekhar, I.; Kastenholz, M.; Lins, R. D.; Oostenbrink, C.; Schuler, L. D.; Tieleman, D. P.; van Gunsteren, W. F. A consistent potential energy parameter set for lipids: dipalmitoylphospha-tidylcholine as a benchmark of the GROMOS96 45A3 force field Eur. Biophys. J. 2003, 32, 67-77
-
(2003)
Eur. Biophys. J.
, vol.32
, pp. 67-77
-
-
Chandrasekhar, I.1
Kastenholz, M.2
Lins, R.D.3
Oostenbrink, C.4
Schuler, L.D.5
Tieleman, D.P.6
Van Gunsteren, W.F.7
-
53
-
-
3042772967
-
Simulating the physiological phase of hydrated DPPC bilayers: The Ester Moiety
-
Chandrasekhar, I.; Oostenbrink, C.; van Gunsteren, W. F. Simulating the physiological phase of hydrated DPPC bilayers: The Ester Moiety Soft Mater. 2004, 2, 27-45
-
(2004)
Soft Mater.
, vol.2
, pp. 27-45
-
-
Chandrasekhar, I.1
Oostenbrink, C.2
Van Gunsteren, W.F.3
-
54
-
-
84855757480
-
-
2009.10; Chemical Computing Group Inc. Montreal, QC, Canada
-
Molecular Operating Environment (MOE), 2009.10; Chemical Computing Group Inc.: Montreal, QC, Canada, 2010.
-
(2010)
Molecular Operating Environment (MOE)
-
-
-
55
-
-
0029633168
-
GROMACS: A message-passing parallel molecular dynamics implementation
-
Berendsen, H. GROMACS: A message-passing parallel molecular dynamics implementation Comput. Phys. Commun. 1995, 91, 43-56
-
(1995)
Comput. Phys. Commun.
, vol.91
, pp. 43-56
-
-
Berendsen, H.1
-
56
-
-
0035789518
-
GROMACS 3.0: A package for molecular simulation and trajectory analysis
-
Lindahl, E.; Hess, B.; van der Spoel, D. GROMACS 3.0: a package for molecular simulation and trajectory analysis J. Mol. Model. 2001, 7, 306-317
-
(2001)
J. Mol. Model.
, vol.7
, pp. 306-317
-
-
Lindahl, E.1
Hess, B.2
Van Der Spoel, D.3
-
57
-
-
27344454932
-
GROMACS: Fast, flexible, and free
-
van der Spoel, D.; Lindahl, E.; Hess, B.; Groenhof, G.; Mark, A. E.; Berendsen, H. J. GROMACS: fast, flexible, and free J. Comput. Chem. 2005, 26, 1701-1718
-
(2005)
J. Comput. Chem.
, vol.26
, pp. 1701-1718
-
-
Van Der Spoel, D.1
Lindahl, E.2
Hess, B.3
Groenhof, G.4
Mark, A.E.5
Berendsen, H.J.6
-
58
-
-
33947139278
-
Setting up and running molecular dynamics simulations of membrane proteins
-
Kandt, C.; Ash, W. L.; Tieleman, D. P. Setting up and running molecular dynamics simulations of membrane proteins Methods 2007, 41, 475-488
-
(2007)
Methods
, vol.41
, pp. 475-488
-
-
Kandt, C.1
Ash, W.L.2
Tieleman, D.P.3
-
59
-
-
77954256616
-
G-membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation
-
Wolf, M. G.; Hoefling, M.; Aponte-Santamaría, C.; Grubmüller, H.; Groenhof, G. g-membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation J.Comput. Chem. 2010, 31, 2169-2174
-
(2010)
J.Comput. Chem.
, vol.31
, pp. 2169-2174
-
-
Wolf, M.G.1
Hoefling, M.2
Aponte-Santamaría, C.3
Grubmüller, H.4
Groenhof, G.5
-
60
-
-
65549083717
-
GridMAT-MD: A grid-based membrane analysis tool for use with molecular dynamics
-
Allen, W. J.; Lemkul, J. A.; Bevan, D. R. GridMAT-MD: a grid-based membrane analysis tool for use with molecular dynamics J.Comput. Chem. 2009, 30, 1952-1958
-
(2009)
J.Comput. Chem.
, vol.30
, pp. 1952-1958
-
-
Allen, W.J.1
Lemkul, J.A.2
Bevan, D.R.3
-
61
-
-
70049114950
-
Detection of functional modes in protein dynamics
-
10.1371/journal.pcbi.1000480
-
Hub, J. S.; de Groot, B. L. Detection of functional modes in protein dynamics PLoS Comput. Biol. 2009, 5, e1000480 10.1371/journal.pcbi.1000480
-
(2009)
PLoS Comput. Biol.
, vol.5
, pp. 1000480
-
-
Hub, J.S.1
De Groot, B.L.2
-
62
-
-
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
-
63
-
-
79957788878
-
ProDy: Protein dynamics inferred from theory and experiments
-
Bakan, A.; Meireles, L. M.; Bahar, I. ProDy: protein dynamics inferred from theory and experiments Bioinformatics 2011, 27, 1575-1577
-
(2011)
Bioinformatics
, vol.27
, pp. 1575-1577
-
-
Bakan, A.1
Meireles, L.M.2
Bahar, I.3
-
64
-
-
77949634796
-
Normal mode analysis of biomolecular structures: Functional mechanisms of membrane proteins
-
Bahar, I.; Lezon, T. R.; Bakan, A.; Shrivastava, I. H. Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins Chem. Rev. 2010, 110, 1463-1497
-
(2010)
Chem. Rev.
, vol.110
, pp. 1463-1497
-
-
Bahar, I.1
Lezon, T.R.2
Bakan, A.3
Shrivastava, I.H.4
-
65
-
-
7544226311
-
PRODRG: A tool for high-throughput crystallography of protein-ligand complexes
-
Schüttelkopf, A. W.; van Aalten, D. M. PRODRG: a tool for high-throughput crystallography of protein-ligand complexes Acta Crystallogr., Sect. D: Biol. Crystallogr. 2004, 60, 1355-1363
-
(2004)
Acta Crystallogr., Sect. D: Biol. Crystallogr.
, vol.60
, pp. 1355-1363
-
-
Schüttelkopf, A.W.1
Van Aalten, D.M.2
-
66
-
-
84961981789
-
An Automated force field Topology Builder (ATB) and repository: Version 1.0
-
Malde, A. K.; Zuo, L.; Breeze, M.; Stroet, M.; Poger, D.; Nair, P. C.; Oostenbrink, C.; Mark, A. E. An Automated force field Topology Builder (ATB) and repository: version 1.0 J. Chem. Theory Comput. 2011, 7, 4026-4037
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 4026-4037
-
-
Malde, A.K.1
Zuo, L.2
Breeze, M.3
Stroet, M.4
Poger, D.5
Nair, P.C.6
Oostenbrink, C.7
Mark, A.E.8
-
67
-
-
0038626673
-
-
revision D.01; Gaussian, Inc. Pittsburg, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision D.01; Gaussian, Inc.: Pittsburg, PA, 2004.
-
(2004)
Gaussian 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
68
-
-
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
-
69
-
-
33644861214
-
OPM: Orientations of proteins in membranes database
-
Lomize, M. A.; Lomize, A. L.; Pogozheva, I. D.; Mosberg, H. I. OPM: orientations of proteins in membranes database Bioinformatics 2006, 22, 623-625
-
(2006)
Bioinformatics
, vol.22
, pp. 623-625
-
-
Lomize, M.A.1
Lomize, A.L.2
Pogozheva, I.D.3
Mosberg, H.I.4
-
70
-
-
68949213019
-
A generic method for assignment of reliability scores applied to solvent accessibility predictions
-
Petersen, B.; Petersen, T. N.; Andersen, P.; Nielsen, M.; Lundegaard, C. A generic method for assignment of reliability scores applied to solvent accessibility predictions BMC Struct. Biol. 2009, 9, 51
-
(2009)
BMC Struct. Biol.
, vol.9
, pp. 51
-
-
Petersen, B.1
Petersen, T.N.2
Andersen, P.3
Nielsen, M.4
Lundegaard, C.5
-
71
-
-
34547759752
-
APSSP2: A combination method for protein secondary structure prediction based on neural network and example based learning
-
Raghava, G. P. S. APSSP2: A combination method for protein secondary structure prediction based on neural network and example based learning. CASP5 2002, A-132.
-
(2002)
CASP5
, vol.132
-
-
Raghava, G.P.S.1
-
72
-
-
0033933636
-
Cascaded multiple classifiers for secondary structure prediction
-
Ouali, M.; King, R. D. Cascaded multiple classifiers for secondary structure prediction Protein Sci. 2000, 9, 1162-1176
-
(2000)
Protein Sci.
, vol.9
, pp. 1162-1176
-
-
Ouali, M.1
King, R.D.2
-
73
-
-
0015987426
-
Prediction of protein conformation
-
Chou, P. Y.; Fasman, G. D. Prediction of protein conformation Biochemistry 1974, 13, 222-245
-
(1974)
Biochemistry
, vol.13
, pp. 222-245
-
-
Chou, P.Y.1
Fasman, G.D.2
-
74
-
-
0037441653
-
Structure validation by Cα geometry: And Cβ deviation
-
Lovell, S. C.; Davis, I. W.; Arendall, W. B., III; de Bakker, P. I. W.; Word, J. M.; Prisant, M. G.; Richardson, J. S.; Richardson, D. C. Structure validation by Cα geometry: and Cβ deviation Proteins 2003, 50, 437-450
-
(2003)
Proteins
, vol.50
, pp. 437-450
-
-
Lovell, S.C.1
Davis, I.W.2
Arendall Iii., W.B.3
De Bakker, P.I.W.4
Word, J.M.5
Prisant, M.G.6
Richardson, J.S.7
Richardson, D.C.8
-
75
-
-
34250315776
-
Molecular Characterization of Gel and Liquid-Crystalline Structures of Fully Hydrated POPC and POPE Bilayers
-
Leekumjorn, S.; Sum, A. K. Molecular Characterization of Gel and Liquid-Crystalline Structures of Fully Hydrated POPC and POPE Bilayers J. Phys. Chem. B 2007, 111, 6026-6033
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 6026-6033
-
-
Leekumjorn, S.1
Sum, A.K.2
-
76
-
-
33644534548
-
New macrocyclic lathyrane diterpenes, from Euphorbia lagascae, as inhibitors of multidrug resistance of tumour cells
-
Duarte, N.; Gyémánt, N.; Abreu, P. M.; Molnár, J.; Ferreira, M.-J. U. New macrocyclic lathyrane diterpenes, from Euphorbia lagascae, as inhibitors of multidrug resistance of tumour cells Planta Med. 2006, 72, 162-168
-
(2006)
Planta Med.
, vol.72
, pp. 162-168
-
-
Duarte, N.1
Gyémánt, N.2
Abreu, P.M.3
Molnár, J.4
Ferreira, M.-J.U.5
-
77
-
-
0028922586
-
LIGPLOT: A program to generate schematic diagrams of protein-ligand interactions
-
Wallace, A. C.; Laskowski, R. A.; Thornton, J. M. LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions Protein Eng. 1995, 8, 127-134
-
(1995)
Protein Eng.
, vol.8
, pp. 127-134
-
-
Wallace, A.C.1
Laskowski, R.A.2
Thornton, J.M.3
-
78
-
-
0028304962
-
Satisfying hydrogen bonding potential in proteins
-
McDonald, I. K.; Thornton, J. M. Satisfying hydrogen bonding potential in proteins J. Mol. Biol. 1994, 238, 777-793
-
(1994)
J. Mol. Biol.
, vol.238
, pp. 777-793
-
-
McDonald, I.K.1
Thornton, J.M.2
-
79
-
-
33846086933
-
Canonical sampling through velocity rescaling
-
Bussi, G.; Donadio, D.; Parrinello, M. Canonical sampling through velocity rescaling J. Chem. Phys. 2007, 126, 14101-14107
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 14101-14107
-
-
Bussi, G.1
Donadio, D.2
Parrinello, M.3
-
80
-
-
0001538909
-
Canonical dynamics: Equilibrium phase-space distributions
-
Hoover, W. Canonical dynamics: Equilibrium phase-space distributions Phys. Rev. A 1985, 31, 1695-1697
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.1
-
81
-
-
84926811618
-
Constant pressure molecular dynamics for molecular systems
-
Nosé, S.; Klein, M. L. Constant pressure molecular dynamics for molecular systems Mol. Phys. 1983, 50, 1055-1076
-
(1983)
Mol. Phys.
, vol.50
, pp. 1055-1076
-
-
Nosé, S.1
Klein, M.L.2
-
82
-
-
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
-
83
-
-
33846823909
-
Particle mesh Ewald: An N·log(N) method for Ewald sums in large systems
-
Darden, T.; York, D.; Pedersen, L. Particle mesh Ewald: An N·log(N) method for Ewald sums in large systems J. Chem. Phys. 1993, 98, 10089
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
84
-
-
33645961739
-
A smooth particle mesh Ewald method
-
Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. 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
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
85
-
-
84986440341
-
Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models
-
Miyamoto, S.; Kollman, P. A. 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
-
86
-
-
0000388705
-
Linear Constraint Solver for Molecular Simulations
-
Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G.; 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.4
Lincs, A.5
-
87
-
-
0037162259
-
Molecular theory of hydrophobic mismatch between lipids and peptides
-
Duque, D.; Li, X.-jun; Katsov, K.; Schick, M. Molecular theory of hydrophobic mismatch between lipids and peptides J. Chem. Phys. 2002, 116, 10478-10481
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 10478-10481
-
-
Duque, D.1
Li, X.-J.2
Katsov, K.3
Schick, M.4
-
88
-
-
77953699035
-
Molecular dynamics simulation of the transmembrane subunit of BtuCD in the lipid bilayer
-
Sun, T.; Liu, M.; Chen, W.; Wang, C. Molecular dynamics simulation of the transmembrane subunit of BtuCD in the lipid bilayer Sci. China Life Sci. 2010, 53, 620-630
-
(2010)
Sci. China Life Sci.
, vol.53
, pp. 620-630
-
-
Sun, T.1
Liu, M.2
Chen, W.3
Wang, C.4
-
89
-
-
3242885293
-
The PredictProtein server
-
10.1093/nar/gkh377
-
Rost, B.; Yachdav, G.; Liu, J. The PredictProtein server Nucleic Acids Res. 2004, 32, W321 10.1093/nar/gkh377
-
(2004)
Nucleic Acids Res.
, vol.32
, pp. 321
-
-
Rost, B.1
Yachdav, G.2
Liu, J.3
-
90
-
-
0034013435
-
Validation of protein crystal structures
-
Kleywegt, G. J. Validation of protein crystal structures Acta Crystallogr. 2000, D56, 249-265
-
(2000)
Acta Crystallogr.
, vol.56
, pp. 249-265
-
-
Kleywegt, G.J.1
-
91
-
-
25444504813
-
Membrane protein structure quality in molecular dynamics simulation
-
Law, R. J.; Capener, C.; Baaden, M.; Bond, P. J.; Campbell, J.; Patargias, G.; Arinaminpathy, Y.; Sansom, M. S. P. Membrane protein structure quality in molecular dynamics simulation J. Mol. Graphics Model. 2005, 24, 157-165
-
(2005)
J. Mol. Graphics Model.
, vol.24
, pp. 157-165
-
-
Law, R.J.1
Capener, C.2
Baaden, M.3
Bond, P.J.4
Campbell, J.5
Patargias, G.6
Arinaminpathy, Y.7
Sansom, M.S.P.8
-
92
-
-
32044453808
-
Recent progress in understanding the mechanism of P-glycoprotein-mediated drug efflux
-
Loo, T. W.; Clarke, D. M. Recent progress in understanding the mechanism of P-glycoprotein-mediated drug efflux J. Membr. Biol. 2005, 206, 173-185
-
(2005)
J. Membr. Biol.
, vol.206
, pp. 173-185
-
-
Loo, T.W.1
Clarke, D.M.2
-
93
-
-
0023836456
-
Most drugs that reverse multidrug resistance also inhibit photoaffinity labeling of P-glycoprotein by a vinblastine analog
-
Akiyama, S.; Cornwell, M. M.; Kuwano, M.; Pastan, I.; Gottesman, M. M. Most drugs that reverse multidrug resistance also inhibit photoaffinity labeling of P-glycoprotein by a vinblastine analog Mol. Pharmacol. 1988, 33, 144-147
-
(1988)
Mol. Pharmacol.
, vol.33
, pp. 144-147
-
-
Akiyama, S.1
Cornwell, M.M.2
Kuwano, M.3
Pastan, I.4
Gottesman, M.M.5
-
94
-
-
79959764016
-
Toward a better pharmacophore description of P-glycoprotein modulators, based on macrocyclic diterpenes from Euphorbia species
-
Ferreira, R. J.; dos Santos, D. J.; Ferreira, M.-J.; Guedes, R. C. Toward a better pharmacophore description of P-glycoprotein modulators, based on macrocyclic diterpenes from Euphorbia species J. Chem. Inf. Model 2011, 51, 1315-1324
-
(2011)
J. Chem. Inf. Model
, vol.51
, pp. 1315-1324
-
-
Ferreira, R.J.1
Dos Santos, D.J.2
Ferreira, M.-J.3
Guedes, R.C.4
-
95
-
-
0035047222
-
Structure-activity relationships of multidrug resistance reversers
-
Wiese, M.; Pajeva, I. K. Structure-activity relationships of multidrug resistance reversers Curr. Med. Chem. 2001, 8, 685-713
-
(2001)
Curr. Med. Chem.
, vol.8
, pp. 685-713
-
-
Wiese, M.1
Pajeva, I.K.2
-
96
-
-
73349111250
-
Structure-activity relationships of tariquidar analogs as multidrug resistance modulators
-
Pajeva, I. K.; Wiese, M. Structure-activity relationships of tariquidar analogs as multidrug resistance modulators AAPS J. 2009, 11, 435-444
-
(2009)
AAPS J.
, vol.11
, pp. 435-444
-
-
Pajeva, I.K.1
Wiese, M.2
-
97
-
-
18344390872
-
Three-Dimensional Quantitative Structure-Activity Relationships of Inhibitors of P-Glycoprotein
-
Ekins, S.; Kim, R. B.; Leake, B. F.; Dantzig, A. H.; Schuetz, E. G.; Lan, L.-B.; Yasuda, K.; Shepard, R. L.; Winter, M. A.; Schuetz, J. D.; Wikel, J. H.; Wrighton, S. A. Three-Dimensional Quantitative Structure-Activity Relationships of Inhibitors of P-Glycoprotein Mol. Pharmacol. 2002, 61, 964-973
-
(2002)
Mol. Pharmacol.
, vol.61
, pp. 964-973
-
-
Ekins, S.1
Kim, R.B.2
Leake, B.F.3
Dantzig, A.H.4
Schuetz, E.G.5
Lan, L.-B.6
Yasuda, K.7
Shepard, R.L.8
Winter, M.A.9
Schuetz, J.D.10
Wikel, J.H.11
Wrighton, S.A.12
-
98
-
-
78650108564
-
Dynamics and structural changes induced by ATP binding in SAV1866, a bacterial ABC exporter
-
Becker, J. P.; van Bambeke, F.; Tulkens, P. M.; Prévost, M. Dynamics and structural changes induced by ATP binding in SAV1866, a bacterial ABC exporter J. Phys. Chem. B 2010, 114, 15948-15957
-
(2010)
J. Phys. Chem. B
, vol.114
, pp. 15948-15957
-
-
Becker, J.P.1
Van Bambeke, F.2
Tulkens, P.M.3
Prévost, M.4
-
99
-
-
0032492724
-
Human P-Glycoprotein Exhibits Reduced Affinity for Substrates during a Catalytic Transition State
-
Ramachandra, M.; Ambudkar, S. V.; Chen, D.; Hrycyna, C. A.; Dey, S.; Gottesman, M. M.; Pastan, I. Human P-Glycoprotein Exhibits Reduced Affinity for Substrates during a Catalytic Transition State Biochemistry 1998, 37, 4693-5038
-
(1998)
Biochemistry
, vol.37
, pp. 4693-5038
-
-
Ramachandra, M.1
Ambudkar, S.V.2
Chen, D.3
Hrycyna, C.A.4
Dey, S.5
Gottesman, M.M.6
Pastan, I.7
-
100
-
-
73649111071
-
Understanding polyspecificity of multidrug ABC transporters: Closing in on the gaps in ABCB1
-
Gutmann, D. A. P.; Ward, A.; Urbatsch, I. L.; Chang, G.; van Veen, H. W. Understanding polyspecificity of multidrug ABC transporters: closing in on the gaps in ABCB1 Trends Biochem. Sci. 2010, 35, 36-42
-
(2010)
Trends Biochem. Sci.
, vol.35
, pp. 36-42
-
-
Gutmann, D.A.P.1
Ward, A.2
Urbatsch, I.L.3
Chang, G.4
Van Veen, H.W.5
-
101
-
-
84860417445
-
ATP hydrolysis at one of the two sites in ABC transporters initiates transport related conformational transitions
-
Gyimesi, G.; Ramachandran, S.; Kota, P.; Dokholyan, N. V.; Sarkadi, B.; Hegedus, T. ATP hydrolysis at one of the two sites in ABC transporters initiates transport related conformational transitions Biochim. Biophys. Acta 2011, 1808, 2954-2964
-
(2011)
Biochim. Biophys. Acta
, vol.1808
, pp. 2954-2964
-
-
Gyimesi, G.1
Ramachandran, S.2
Kota, P.3
Dokholyan, N.V.4
Sarkadi, B.5
Hegedus, T.6
-
102
-
-
77951241376
-
Characterization of an asymmetric occluded state of P-glycoprotein with two bound nucleotides: Implications for catalysis
-
Siarheyva, A.; Liu, R.; Sharom, F. Characterization of an asymmetric occluded state of P-glycoprotein with two bound nucleotides: implications for catalysis J. Biol. Chem. 2010, 285, 7575-7586
-
(2010)
J. Biol. Chem.
, vol.285
, pp. 7575-7586
-
-
Siarheyva, A.1
Liu, R.2
Sharom, F.3
|