-
1
-
-
84859707022
-
Signaling at neuro/immune synapses
-
Dustin M.L. Signaling at neuro/immune synapses. J. Clin. Invest. 2012, 122:1149-1155.
-
(2012)
J. Clin. Invest.
, vol.122
, pp. 1149-1155
-
-
Dustin, M.L.1
-
2
-
-
69449084042
-
Structural immunology and crystallography help immunologists see the immune system in action: how T and NK cells touch their ligands
-
Chen Y., et al. Structural immunology and crystallography help immunologists see the immune system in action: how T and NK cells touch their ligands. IUBMB Life 2009, 61:579-590.
-
(2009)
IUBMB Life
, vol.61
, pp. 579-590
-
-
Chen, Y.1
-
3
-
-
7644220670
-
Physical methods for structure, dynamics and binding in immunological research
-
Morikis D., Lambris J.D. Physical methods for structure, dynamics and binding in immunological research. Trends Immunol. 2004, 25:700-707.
-
(2004)
Trends Immunol.
, vol.25
, pp. 700-707
-
-
Morikis, D.1
Lambris, J.D.2
-
4
-
-
58649114309
-
The molecular basis of TCR germline bias for MHC is surprisingly simple
-
Garcia K.C., et al. The molecular basis of TCR germline bias for MHC is surprisingly simple. Nat. Immunol. 2009, 10:143-147.
-
(2009)
Nat. Immunol.
, vol.10
, pp. 143-147
-
-
Garcia, K.C.1
-
5
-
-
0033520962
-
The crystal structure of a T cell receptor in complex with peptide and MHC class II
-
Reinherz E.L., et al. The crystal structure of a T cell receptor in complex with peptide and MHC class II. Science 1999, 286:1913-1921.
-
(1999)
Science
, vol.286
, pp. 1913-1921
-
-
Reinherz, E.L.1
-
6
-
-
34548128306
-
Structural evidence for a germline-encoded T cell receptor-major histocompatibility complex interaction 'codon'
-
Feng D., et al. Structural evidence for a germline-encoded T cell receptor-major histocompatibility complex interaction 'codon'. Nat. Immunol. 2007, 8:975-983.
-
(2007)
Nat. Immunol.
, vol.8
, pp. 975-983
-
-
Feng, D.1
-
7
-
-
40249118205
-
Crossreactive T cells spotlight the germline rules for alphabeta T cell-receptor interactions with MHC molecules
-
Dai S., et al. Crossreactive T cells spotlight the germline rules for alphabeta T cell-receptor interactions with MHC molecules. Immunity 2008, 28:324-334.
-
(2008)
Immunity
, vol.28
, pp. 324-334
-
-
Dai, S.1
-
8
-
-
34247154800
-
A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule
-
Tynan F.E., et al. A T cell receptor flattens a bulged antigenic peptide presented by a major histocompatibility complex class I molecule. Nat. Immunol. 2007, 8:268-276.
-
(2007)
Nat. Immunol.
, vol.8
, pp. 268-276
-
-
Tynan, F.E.1
-
9
-
-
0029855347
-
Structure of the complex between human T-cell receptor, viral peptide and HLA-A2
-
Garboczi D.N., et al. Structure of the complex between human T-cell receptor, viral peptide and HLA-A2. Nature 1996, 384:134-141.
-
(1996)
Nature
, vol.384
, pp. 134-141
-
-
Garboczi, D.N.1
-
10
-
-
18344405559
-
Two human T cell receptors bind in a similar diagonal mode to the HLA-A2/Tax peptide complex using different TCR amino acids
-
Ding Y.H., et al. Two human T cell receptors bind in a similar diagonal mode to the HLA-A2/Tax peptide complex using different TCR amino acids. Immunity 1998, 8:403-411.
-
(1998)
Immunity
, vol.8
, pp. 403-411
-
-
Ding, Y.H.1
-
11
-
-
0027525106
-
The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2
-
Madden D.R., et al. The antigenic identity of peptide-MHC complexes: a comparison of the conformations of five viral peptides presented by HLA-A2. Cell 1993, 75:693-708.
-
(1993)
Cell
, vol.75
, pp. 693-708
-
-
Madden, D.R.1
-
12
-
-
20944450033
-
Structural and kinetic basis for heightened immunogenicity of T cell vaccines
-
Chen J.L., et al. Structural and kinetic basis for heightened immunogenicity of T cell vaccines. J. Exp. Med. 2005, 201:1243-1255.
-
(2005)
J. Exp. Med.
, vol.201
, pp. 1243-1255
-
-
Chen, J.L.1
-
13
-
-
10644239910
-
T cell cross-reactivity and conformational changes during TCR engagement
-
Lee J.K., et al. T cell cross-reactivity and conformational changes during TCR engagement. J. Exp. Med. 2004, 200:1455-1466.
-
(2004)
J. Exp. Med.
, vol.200
, pp. 1455-1466
-
-
Lee, J.K.1
-
14
-
-
0029662223
-
An alphabeta T cell receptor structure at 2.5 A and its orientation in the TCR-MHC complex
-
Garcia K.C., et al. An alphabeta T cell receptor structure at 2.5 A and its orientation in the TCR-MHC complex. Science 1996, 274:209-219.
-
(1996)
Science
, vol.274
, pp. 209-219
-
-
Garcia, K.C.1
-
15
-
-
82555168290
-
Disparate degrees of hypervariable loop flexibility control T-cell receptor cross-reactivity, specificity, and binding mechanism
-
Scott D.R., et al. Disparate degrees of hypervariable loop flexibility control T-cell receptor cross-reactivity, specificity, and binding mechanism. J. Mol. Biol. 2011, 414:385-400.
-
(2011)
J. Mol. Biol.
, vol.414
, pp. 385-400
-
-
Scott, D.R.1
-
16
-
-
79952743743
-
Conformational melding permits a conserved binding geometry in TCR recognition of foreign and self molecular mimics
-
Borbulevych O.Y., et al. Conformational melding permits a conserved binding geometry in TCR recognition of foreign and self molecular mimics. J. Immunol. 2011, 186:2950-2958.
-
(2011)
J. Immunol.
, vol.186
, pp. 2950-2958
-
-
Borbulevych, O.Y.1
-
17
-
-
71749112218
-
T cell receptor cross-reactivity directed by antigen-dependent tuning of peptide-MHC molecular flexibility
-
Borbulevych O.Y., et al. T cell receptor cross-reactivity directed by antigen-dependent tuning of peptide-MHC molecular flexibility. Immunity 2009, 31:885-896.
-
(2009)
Immunity
, vol.31
, pp. 885-896
-
-
Borbulevych, O.Y.1
-
18
-
-
77953742968
-
Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability
-
Burrows S.R., et al. Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability. Proc. Natl. Acad. Sci. U.S.A. 2010, 107:10608-10613.
-
(2010)
Proc. Natl. Acad. Sci. U.S.A.
, vol.107
, pp. 10608-10613
-
-
Burrows, S.R.1
-
19
-
-
33947726614
-
How a single T cell receptor recognizes both self and foreign MHC
-
Colf L.A., et al. How a single T cell receptor recognizes both self and foreign MHC. Cell 2007, 129:135-146.
-
(2007)
Cell
, vol.129
, pp. 135-146
-
-
Colf, L.A.1
-
20
-
-
84897556607
-
TCR scanning of peptide/MHC through complementary matching of receptor and ligand molecular flexibility
-
Hawse W.F., et al. TCR scanning of peptide/MHC through complementary matching of receptor and ligand molecular flexibility. J. Immunol. 2014, 192:2885-2891.
-
(2014)
J. Immunol.
, vol.192
, pp. 2885-2891
-
-
Hawse, W.F.1
-
21
-
-
0033017466
-
Structure, specificity and CDR mobility of a class II restricted single-chain T-cell receptor
-
Hare B.J., et al. Structure, specificity and CDR mobility of a class II restricted single-chain T-cell receptor. Nat. Struct. Biol. 1999, 6:574-581.
-
(1999)
Nat. Struct. Biol.
, vol.6
, pp. 574-581
-
-
Hare, B.J.1
-
22
-
-
0348047600
-
Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T cell activation
-
Krogsgaard M., et al. Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T cell activation. Mol. Cell 2003, 12:1367-1378.
-
(2003)
Mol. Cell
, vol.12
, pp. 1367-1378
-
-
Krogsgaard, M.1
-
23
-
-
34447647655
-
Spatial and temporal dynamics of T cell receptor signaling with a photoactivatable agonist
-
Huse M., et al. Spatial and temporal dynamics of T cell receptor signaling with a photoactivatable agonist. Immunity 2007, 27:76-88.
-
(2007)
Immunity
, vol.27
, pp. 76-88
-
-
Huse, M.1
-
24
-
-
84862589122
-
Cutting edge: evidence for a dynamically driven T cell signaling mechanism
-
Hawse W.F., et al. Cutting edge: evidence for a dynamically driven T cell signaling mechanism. J. Immunol. 2012, 188:5819-5823.
-
(2012)
J. Immunol.
, vol.188
, pp. 5819-5823
-
-
Hawse, W.F.1
-
25
-
-
0025047629
-
A mutant T4 lysozyme displays five different crystal conformations
-
Faber H.R., Matthews B.W. A mutant T4 lysozyme displays five different crystal conformations. Nature 1990, 348:263-266.
-
(1990)
Nature
, vol.348
, pp. 263-266
-
-
Faber, H.R.1
Matthews, B.W.2
-
26
-
-
0026740792
-
Structural effects induced by mutagenesis affected by crystal packing factors: the structure of a 30-51 disulfide mutant of basic pancreatic trypsin inhibitor
-
Eigenbrot C., et al. Structural effects induced by mutagenesis affected by crystal packing factors: the structure of a 30-51 disulfide mutant of basic pancreatic trypsin inhibitor. Proteins 1992, 14:75-87.
-
(1992)
Proteins
, vol.14
, pp. 75-87
-
-
Eigenbrot, C.1
-
27
-
-
0025037796
-
Comparison of the dynamics of myoglobin in different crystal forms
-
Phillips G.N. Comparison of the dynamics of myoglobin in different crystal forms. Biophys. J. 1990, 57:381-383.
-
(1990)
Biophys. J.
, vol.57
, pp. 381-383
-
-
Phillips, G.N.1
-
28
-
-
80053626537
-
Accessing protein conformational ensembles using room-temperature X-ray crystallography
-
Fraser J.S., et al. Accessing protein conformational ensembles using room-temperature X-ray crystallography. Proc. Natl. Acad. Sci. U.S.A. 2011, 108:16247-16252.
-
(2011)
Proc. Natl. Acad. Sci. U.S.A.
, vol.108
, pp. 16247-16252
-
-
Fraser, J.S.1
-
29
-
-
0036604916
-
The T-cell receptor signalosome: a dynamic structure with expanding complexity
-
Werlen G., Palmer E. The T-cell receptor signalosome: a dynamic structure with expanding complexity. Curr. Opin. Immunol. 2002, 14:299-305.
-
(2002)
Curr. Opin. Immunol.
, vol.14
, pp. 299-305
-
-
Werlen, G.1
Palmer, E.2
-
30
-
-
84874137801
-
Membrane dynamics shape TCR-generated signaling
-
He H.T., Bongrand P. Membrane dynamics shape TCR-generated signaling. Front. Immunol. 2012, 3:90.
-
(2012)
Front. Immunol.
, vol.3
, pp. 90
-
-
He, H.T.1
Bongrand, P.2
-
31
-
-
77957937199
-
Atomic-level characterization of the structural dynamics of proteins
-
Shaw D.E., et al. Atomic-level characterization of the structural dynamics of proteins. Science 2010, 330:341-346.
-
(2010)
Science
, vol.330
, pp. 341-346
-
-
Shaw, D.E.1
-
32
-
-
80055081145
-
How fast-folding proteins fold
-
Lindorff-Larsen K., et al. How fast-folding proteins fold. Science 2011, 334:517-520.
-
(2011)
Science
, vol.334
, pp. 517-520
-
-
Lindorff-Larsen, K.1
-
33
-
-
84863115467
-
Structure and dynamics of the M3 muscarinic acetylcholine receptor
-
Kruse A.C., et al. Structure and dynamics of the M3 muscarinic acetylcholine receptor. Nature 2012, 482:552-556.
-
(2012)
Nature
, vol.482
, pp. 552-556
-
-
Kruse, A.C.1
-
34
-
-
84873298278
-
The dynamic process of beta(2)-adrenergic receptor activation
-
Nygaard R., et al. The dynamic process of beta(2)-adrenergic receptor activation. Cell 2013, 152:532-542.
-
(2013)
Cell
, vol.152
, pp. 532-542
-
-
Nygaard, R.1
-
35
-
-
39149104002
-
Combining experiment and simulation in protein folding: closing the gap for small model systems
-
Schaeffer R.D., et al. Combining experiment and simulation in protein folding: closing the gap for small model systems. Curr. Opin. Struct. Biol. 2008, 18:4-9.
-
(2008)
Curr. Opin. Struct. Biol.
, vol.18
, pp. 4-9
-
-
Schaeffer, R.D.1
-
36
-
-
0033939649
-
Magnitude of structural changes of the T-cell receptor binding regions determine the strength of T-cell antagonism: molecular dynamics simulations of HLA-DR4 (DRB1*0405) complexed with analogue peptide
-
Toh H., et al. Magnitude of structural changes of the T-cell receptor binding regions determine the strength of T-cell antagonism: molecular dynamics simulations of HLA-DR4 (DRB1*0405) complexed with analogue peptide. Protein Eng. 2000, 13:423-429.
-
(2000)
Protein Eng.
, vol.13
, pp. 423-429
-
-
Toh, H.1
-
37
-
-
0031736840
-
Molecular dynamics simulations of HLA-DR4 (DRB1*0405) complexed with analogue peptide: conformational changes in the putative T-cell receptor binding regions
-
Toh H., et al. Molecular dynamics simulations of HLA-DR4 (DRB1*0405) complexed with analogue peptide: conformational changes in the putative T-cell receptor binding regions. Protein Eng. 1998, 11:1027-1032.
-
(1998)
Protein Eng.
, vol.11
, pp. 1027-1032
-
-
Toh, H.1
-
38
-
-
84861128851
-
Epitope flexibility and dynamic footprint revealed by molecular dynamics of a pMHC-TCR complex
-
Reboul C.F., et al. Epitope flexibility and dynamic footprint revealed by molecular dynamics of a pMHC-TCR complex. PLoS Comput. Biol. 2012, 8:e1002404.
-
(2012)
PLoS Comput. Biol.
, vol.8
, pp. e1002404
-
-
Reboul, C.F.1
-
39
-
-
21244484755
-
High resolution structures of highly bulged viral epitopes bound to major histocompatibility complex class I. Implications for T-cell receptor engagement and T-cell immunodominance
-
Tynan F.E., et al. High resolution structures of highly bulged viral epitopes bound to major histocompatibility complex class I. Implications for T-cell receptor engagement and T-cell immunodominance. J. Biol. Chem. 2005, 280:23900-23909.
-
(2005)
J. Biol. Chem.
, vol.280
, pp. 23900-23909
-
-
Tynan, F.E.1
-
40
-
-
27544446623
-
T cell receptor recognition of a 'super-bulged' major histocompatibility complex class I-bound peptide
-
Tynan F.E., et al. T cell receptor recognition of a 'super-bulged' major histocompatibility complex class I-bound peptide. Nat. Immunol. 2005, 6:1114-1122.
-
(2005)
Nat. Immunol.
, vol.6
, pp. 1114-1122
-
-
Tynan, F.E.1
-
41
-
-
4644272170
-
Potent T cell response to a class I-binding 13-mer viral epitope and the influence of HLA micropolymorphism in controlling epitope length
-
Green K.J., et al. Potent T cell response to a class I-binding 13-mer viral epitope and the influence of HLA micropolymorphism in controlling epitope length. Eur. J. Immunol. 2004, 34:2510-2519.
-
(2004)
Eur. J. Immunol.
, vol.34
, pp. 2510-2519
-
-
Green, K.J.1
-
42
-
-
79958252468
-
Insights into the structure of the LC13 TCR/HLA-B8-EBV peptide complex with molecular dynamics simulations
-
Stavrakoudis A. Insights into the structure of the LC13 TCR/HLA-B8-EBV peptide complex with molecular dynamics simulations. Cell Biochem. Biophys. 2011, 60:283-295.
-
(2011)
Cell Biochem. Biophys.
, vol.60
, pp. 283-295
-
-
Stavrakoudis, A.1
-
43
-
-
0037240790
-
A structural basis for the selection of dominant alphabeta T cell receptors in antiviral immunity
-
Kjer-Nielsen L., et al. A structural basis for the selection of dominant alphabeta T cell receptors in antiviral immunity. Immunity 2003, 18:53-64.
-
(2003)
Immunity
, vol.18
, pp. 53-64
-
-
Kjer-Nielsen, L.1
-
44
-
-
81155132239
-
Loss of T cell antigen recognition arising from changes in peptide and major histocompatibility complex protein flexibility: implications for vaccine design
-
Insaidoo F.K., et al. Loss of T cell antigen recognition arising from changes in peptide and major histocompatibility complex protein flexibility: implications for vaccine design. J. Biol. Chem. 2011, 286:40163-40173.
-
(2011)
J. Biol. Chem.
, vol.286
, pp. 40163-40173
-
-
Insaidoo, F.K.1
-
45
-
-
84883194313
-
Peptide modulation of class I major histocompatibility complex protein molecular flexibility and the implications for immune recognition
-
Hawse W.F., et al. Peptide modulation of class I major histocompatibility complex protein molecular flexibility and the implications for immune recognition. J. Biol. Chem. 2013, 288:24372-24381.
-
(2013)
J. Biol. Chem.
, vol.288
, pp. 24372-24381
-
-
Hawse, W.F.1
-
46
-
-
77950531623
-
HLA-B27 heavy chains distinguished by a micropolymorphism exhibit differential flexibility
-
Fabian H., et al. HLA-B27 heavy chains distinguished by a micropolymorphism exhibit differential flexibility. Arthritis Rheum. 2010, 62:978-987.
-
(2010)
Arthritis Rheum.
, vol.62
, pp. 978-987
-
-
Fabian, H.1
-
47
-
-
79955611721
-
Influence of inflammation-related changes on conformational characteristics of HLA-B27 subtypes as detected by IR spectroscopy
-
Fabian H., et al. Influence of inflammation-related changes on conformational characteristics of HLA-B27 subtypes as detected by IR spectroscopy. FEBS J. 2011, 278:1713-1727.
-
(2011)
FEBS J.
, vol.278
, pp. 1713-1727
-
-
Fabian, H.1
-
48
-
-
38649106449
-
HLA-B27 subtypes differentially associated with disease exhibit conformational differences in solution
-
Fabian H., et al. HLA-B27 subtypes differentially associated with disease exhibit conformational differences in solution. J. Mol. Biol. 2008, 376:798-810.
-
(2008)
J. Mol. Biol.
, vol.376
, pp. 798-810
-
-
Fabian, H.1
-
49
-
-
3142543331
-
Differential peptide dynamics is linked to major histocompatibility complex polymorphism
-
Pöhlmann T., et al. Differential peptide dynamics is linked to major histocompatibility complex polymorphism. J. Biol. Chem. 2004, 279:28197-28201.
-
(2004)
J. Biol. Chem.
, vol.279
, pp. 28197-28201
-
-
Pöhlmann, T.1
-
50
-
-
0347298779
-
HLA-B27 subtypes differentially associated with disease exhibit subtle structural alterations
-
Hulsmeyer M., et al. HLA-B27 subtypes differentially associated with disease exhibit subtle structural alterations. J. Biol. Chem. 2002, 277:47844-47853.
-
(2002)
J. Biol. Chem.
, vol.277
, pp. 47844-47853
-
-
Hulsmeyer, M.1
-
51
-
-
9144262462
-
Thermodynamic and structural analysis of peptide- and allele-dependent properties of two HLA-B27 subtypes exhibiting differential disease association
-
Hillig R.C., et al. Thermodynamic and structural analysis of peptide- and allele-dependent properties of two HLA-B27 subtypes exhibiting differential disease association. J. Biol. Chem. 2004, 279:652-663.
-
(2004)
J. Biol. Chem.
, vol.279
, pp. 652-663
-
-
Hillig, R.C.1
-
52
-
-
35348937601
-
Natural MHC class I polymorphism controls the pathway of peptide dissociation from HLA-B27 complexes
-
Winkler K., et al. Natural MHC class I polymorphism controls the pathway of peptide dissociation from HLA-B27 complexes. Biophys. J. 2007, 93:2743-2755.
-
(2007)
Biophys. J.
, vol.93
, pp. 2743-2755
-
-
Winkler, K.1
-
53
-
-
84855767247
-
Dynamical characterization of two differentially disease associated MHC class I proteins in complex with viral and self-peptides
-
Narzi D., et al. Dynamical characterization of two differentially disease associated MHC class I proteins in complex with viral and self-peptides. J. Mol. Biol. 2012, 415:429-442.
-
(2012)
J. Mol. Biol.
, vol.415
, pp. 429-442
-
-
Narzi, D.1
-
54
-
-
0003104975
-
A TCR binds to antagonist ligands with lower affinities and faster dissociation rates than to agonists
-
Lyons D.S., et al. A TCR binds to antagonist ligands with lower affinities and faster dissociation rates than to agonists. Immunity 1996, 5:53-61.
-
(1996)
Immunity
, vol.5
, pp. 53-61
-
-
Lyons, D.S.1
-
55
-
-
0042971650
-
Molecular interactions mediating T cell antigen recognition
-
van der Merwe P.A., Davis S.J. Molecular interactions mediating T cell antigen recognition. Annu. Rev. Immunol. 2003, 21:659-684.
-
(2003)
Annu. Rev. Immunol.
, vol.21
, pp. 659-684
-
-
van der Merwe, P.A.1
Davis, S.J.2
-
56
-
-
0033165928
-
Four A6-TCR/peptide/HLA-A2 structures that generate very different T cell signals are nearly identical
-
Ding Y.H., et al. Four A6-TCR/peptide/HLA-A2 structures that generate very different T cell signals are nearly identical. Immunity 1999, 11:45-56.
-
(1999)
Immunity
, vol.11
, pp. 45-56
-
-
Ding, Y.H.1
-
57
-
-
0036682133
-
Two-step binding mechanism for T-cell receptor recognition of peptide MHC
-
Wu L.C., et al. Two-step binding mechanism for T-cell receptor recognition of peptide MHC. Nature 2002, 418:552-556.
-
(2002)
Nature
, vol.418
, pp. 552-556
-
-
Wu, L.C.1
-
58
-
-
0033103834
-
TCR binding to peptide-MHC stabilizes a flexible recognition interface
-
Willcox B.E., et al. TCR binding to peptide-MHC stabilizes a flexible recognition interface. Immunity 1999, 10:357-365.
-
(1999)
Immunity
, vol.10
, pp. 357-365
-
-
Willcox, B.E.1
-
59
-
-
0001858251
-
Application of a theory of enzyme specificity to protein synthesis
-
Koshland D.E. Application of a theory of enzyme specificity to protein synthesis. Proc. Natl. Acad. Sci. U.S.A. 1958, 44:98-104.
-
(1958)
Proc. Natl. Acad. Sci. U.S.A.
, vol.44
, pp. 98-104
-
-
Koshland, D.E.1
-
60
-
-
54049111388
-
Conformational changes and flexibility in T-cell receptor recognition of peptide-MHC complexes
-
Armstrong K.M., et al. Conformational changes and flexibility in T-cell receptor recognition of peptide-MHC complexes. Biochem. J. 2008, 415:183-196.
-
(2008)
Biochem. J.
, vol.415
, pp. 183-196
-
-
Armstrong, K.M.1
-
61
-
-
34447299949
-
A comprehensive calorimetric investigation of an entropically driven T cell receptor-peptide/major histocompatibility complex interaction
-
Armstrong K.M., Baker B.M. A comprehensive calorimetric investigation of an entropically driven T cell receptor-peptide/major histocompatibility complex interaction. Biophys. J. 2007, 93:597-609.
-
(2007)
Biophys. J.
, vol.93
, pp. 597-609
-
-
Armstrong, K.M.1
Baker, B.M.2
-
62
-
-
70350340728
-
The role of dynamic conformational ensembles in biomolecular recognition
-
Boehr D.D., et al. The role of dynamic conformational ensembles in biomolecular recognition. Nat. Chem. Biol. 2009, 5:789-796.
-
(2009)
Nat. Chem. Biol.
, vol.5
, pp. 789-796
-
-
Boehr, D.D.1
-
63
-
-
77957231785
-
Induced fit, conformational selection and independent dynamic segments: an extended view of binding events
-
Csermely P., et al. Induced fit, conformational selection and independent dynamic segments: an extended view of binding events. Trends Biochem. Sci. 2010, 35:539-546.
-
(2010)
Trends Biochem. Sci.
, vol.35
, pp. 539-546
-
-
Csermely, P.1
-
64
-
-
79959564608
-
The effect of mutations on the alloreactive T cell receptor/peptide-MHC interface structure: a molecular dynamics study
-
Wolfson M.Y., et al. The effect of mutations on the alloreactive T cell receptor/peptide-MHC interface structure: a molecular dynamics study. J. Phys. Chem. B 2011, 115:8317-8327.
-
(2011)
J. Phys. Chem. B
, vol.115
, pp. 8317-8327
-
-
Wolfson, M.Y.1
-
65
-
-
34248572342
-
Alloreactive T cells respond specifically to multiple distinct peptide-MHC complexes
-
Felix N.J., et al. Alloreactive T cells respond specifically to multiple distinct peptide-MHC complexes. Nat. Immunol. 2007, 8:388-397.
-
(2007)
Nat. Immunol.
, vol.8
, pp. 388-397
-
-
Felix, N.J.1
-
66
-
-
79551475599
-
Cis-trans isomerization of the Epstein-Barr virus determinant peptide EENLLDFVRF after the DM1 TCR recognition of the HLA-B*4405/peptide complex
-
Stavrakoudis A. Cis-trans isomerization of the Epstein-Barr virus determinant peptide EENLLDFVRF after the DM1 TCR recognition of the HLA-B*4405/peptide complex. FEBS Lett. 2011, 585:485-491.
-
(2011)
FEBS Lett.
, vol.585
, pp. 485-491
-
-
Stavrakoudis, A.1
-
67
-
-
80053948469
-
How T cell receptors interact with peptide-MHCs: a multiple steered molecular dynamics study
-
Cuendet M.A., et al. How T cell receptors interact with peptide-MHCs: a multiple steered molecular dynamics study. Proteins 2011, 79:3007-3024.
-
(2011)
Proteins
, vol.79
, pp. 3007-3024
-
-
Cuendet, M.A.1
-
68
-
-
0033613074
-
Thermodynamics of T cell receptor binding to peptide-MHC: evidence for a general mechanism of molecular scanning
-
Boniface J.J., et al. Thermodynamics of T cell receptor binding to peptide-MHC: evidence for a general mechanism of molecular scanning. Proc. Natl. Acad. Sci. U.S.A. 1999, 96:11446-11451.
-
(1999)
Proc. Natl. Acad. Sci. U.S.A.
, vol.96
, pp. 11446-11451
-
-
Boniface, J.J.1
-
69
-
-
0038300653
-
A structural basis for immunodominant human T cell receptor recognition
-
Stewart-Jones G.B., et al. A structural basis for immunodominant human T cell receptor recognition. Nat. Immunol. 2003, 4:657-663.
-
(2003)
Nat. Immunol.
, vol.4
, pp. 657-663
-
-
Stewart-Jones, G.B.1
-
70
-
-
38949100462
-
The structural dynamics and energetics of an immunodominant T cell receptor are programmed by its Vbeta domain
-
Ishizuka J., et al. The structural dynamics and energetics of an immunodominant T cell receptor are programmed by its Vbeta domain. Immunity 2008, 28:171-182.
-
(2008)
Immunity
, vol.28
, pp. 171-182
-
-
Ishizuka, J.1
-
71
-
-
0037470616
-
Increased backbone mobility in beta-barrel enhances entropy gain driving binding of N-TIMP-1 to MMP-3
-
Arumugam S., et al. Increased backbone mobility in beta-barrel enhances entropy gain driving binding of N-TIMP-1 to MMP-3. J. Mol. Biol. 2003, 327:719-734.
-
(2003)
J. Mol. Biol.
, vol.327
, pp. 719-734
-
-
Arumugam, S.1
-
72
-
-
0029764317
-
Backbone dynamics of the C-terminal domain of Escherichia coli topoisomerase I in the absence and presence of single-stranded DNA
-
Yu L., et al. Backbone dynamics of the C-terminal domain of Escherichia coli topoisomerase I in the absence and presence of single-stranded DNA. Biochemistry 1996, 35:9661-9666.
-
(1996)
Biochemistry
, vol.35
, pp. 9661-9666
-
-
Yu, L.1
-
73
-
-
33644872200
-
Picosecond dynamics of a membrane protein revealed by 2D IR
-
Mukherjee P., et al. Picosecond dynamics of a membrane protein revealed by 2D IR. Proc. Natl. Acad. Sci. U.S.A. 2006, 103:3528-3533.
-
(2006)
Proc. Natl. Acad. Sci. U.S.A.
, vol.103
, pp. 3528-3533
-
-
Mukherjee, P.1
-
74
-
-
37349112664
-
Toward an atomistic understanding of the immune synapse: large-scale molecular dynamics simulation of a membrane-embedded TCR-pMHC-CD4 complex
-
Wan S., et al. Toward an atomistic understanding of the immune synapse: large-scale molecular dynamics simulation of a membrane-embedded TCR-pMHC-CD4 complex. Mol. Immunol. 2008, 45:1221-1230.
-
(2008)
Mol. Immunol.
, vol.45
, pp. 1221-1230
-
-
Wan, S.1
-
75
-
-
84901193849
-
Molecular dynamics simulations to provide insights into epitopes coupled to the soluble and membrane-bound MHC-II complexes
-
Bello M., Correa-Basurto J. Molecular dynamics simulations to provide insights into epitopes coupled to the soluble and membrane-bound MHC-II complexes. PloS ONE 2013, 8:e72575.
-
(2013)
PloS ONE
, vol.8
, pp. e72575
-
-
Bello, M.1
Correa-Basurto, J.2
-
76
-
-
0037167816
-
Direct observation of ligand recognition by T cells
-
Irvine D.J., et al. Direct observation of ligand recognition by T cells. Nature 2002, 419:845-849.
-
(2002)
Nature
, vol.419
, pp. 845-849
-
-
Irvine, D.J.1
-
77
-
-
34547474332
-
The MARTINI force field: coarse grained model for biomolecular simulations
-
Marrink S.J., et al. The MARTINI force field: coarse grained model for biomolecular simulations. J. Phys. Chem. B 2007, 111:7812-7824.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 7812-7824
-
-
Marrink, S.J.1
-
78
-
-
84936768802
-
Exploring the dynamics and interaction of a full ErbB2 receptor and Trastuzumab-Fab antibody in a lipid bilayer model using Martini coarse-grained force field
-
Published online August 17, 2014
-
Franco-Gonzalez J.F., et al. Exploring the dynamics and interaction of a full ErbB2 receptor and Trastuzumab-Fab antibody in a lipid bilayer model using Martini coarse-grained force field. J. Comput. Aided Mol. Des. 2014, Published online August 17, 2014 http://dx.doi.org/10.1007/s10822-014-9787-2.
-
(2014)
J. Comput. Aided Mol. Des.
-
-
Franco-Gonzalez, J.F.1
-
79
-
-
84855866524
-
Drug hypersensitivity and human leukocyte antigens of the major histocompatibility complex
-
Bharadwaj M., et al. Drug hypersensitivity and human leukocyte antigens of the major histocompatibility complex. Annu. Rev. Pharmacol. Toxicol. 2012, 52:401-431.
-
(2012)
Annu. Rev. Pharmacol. Toxicol.
, vol.52
, pp. 401-431
-
-
Bharadwaj, M.1
-
80
-
-
67649859295
-
HLA-B*5701 genotype is a major determinant of drug-induced liver injury due to flucloxacillin
-
Daly A.K., et al. HLA-B*5701 genotype is a major determinant of drug-induced liver injury due to flucloxacillin. Nat. Genet. 2009, 41:816-819.
-
(2009)
Nat. Genet.
, vol.41
, pp. 816-819
-
-
Daly, A.K.1
-
81
-
-
0037006623
-
Association between presence of HLA-B*5701, HLA-DR7, and HLA-DQ3 and hypersensitivity to HIV-1 reverse-transcriptase inhibitor abacavir
-
Mallal S., et al. Association between presence of HLA-B*5701, HLA-DR7, and HLA-DQ3 and hypersensitivity to HIV-1 reverse-transcriptase inhibitor abacavir. Lancet 2002, 359:727-732.
-
(2002)
Lancet
, vol.359
, pp. 727-732
-
-
Mallal, S.1
-
82
-
-
84862979660
-
Immune self-reactivity triggered by drug-modified HLA-peptide repertoire
-
Illing P.T., et al. Immune self-reactivity triggered by drug-modified HLA-peptide repertoire. Nature 2012, 486:554-558.
-
(2012)
Nature
, vol.486
, pp. 554-558
-
-
Illing, P.T.1
-
83
-
-
84862532297
-
Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire
-
Ostrov D.A., et al. Drug hypersensitivity caused by alteration of the MHC-presented self-peptide repertoire. Proc. Natl. Acad. Sci. U.S.A. 2012, 109:9959-9964.
-
(2012)
Proc. Natl. Acad. Sci. U.S.A.
, vol.109
, pp. 9959-9964
-
-
Ostrov, D.A.1
-
84
-
-
84871316525
-
Limitations of time-resolved fluorescence suggested by molecular simulations: assessing the dynamics of T cell receptor binding loops
-
Scott D.R., et al. Limitations of time-resolved fluorescence suggested by molecular simulations: assessing the dynamics of T cell receptor binding loops. Biophys. J. 2012, 103:2532-2540.
-
(2012)
Biophys. J.
, vol.103
, pp. 2532-2540
-
-
Scott, D.R.1
-
85
-
-
84864138467
-
The peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics
-
Mage M.G., et al. The peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics. J. Immunol. 2012, 189:1391-1399.
-
(2012)
J. Immunol.
, vol.189
, pp. 1391-1399
-
-
Mage, M.G.1
-
86
-
-
0033538574
-
The immunological synapse: a molecular machine controlling T cell activation
-
Grakoui A., et al. The immunological synapse: a molecular machine controlling T cell activation. Science 1999, 285:221-227.
-
(1999)
Science
, vol.285
, pp. 221-227
-
-
Grakoui, A.1
-
87
-
-
84890917722
-
Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways
-
Kohlhoff K.J., et al. Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways. Nat. Chem. 2014, 6:15-21.
-
(2014)
Nat. Chem.
, vol.6
, pp. 15-21
-
-
Kohlhoff, K.J.1
-
88
-
-
80052001378
-
Pathway and mechanism of drug binding to G-protein-coupled receptors
-
Dror R.O., et al. Pathway and mechanism of drug binding to G-protein-coupled receptors. Proc. Natl. Acad. Sci. U.S.A. 2011, 108:13118-13123.
-
(2011)
Proc. Natl. Acad. Sci. U.S.A.
, vol.108
, pp. 13118-13123
-
-
Dror, R.O.1
-
89
-
-
77956220940
-
Everything you wanted to know about Markov State Models but were afraid to ask
-
Pande V.S., et al. Everything you wanted to know about Markov State Models but were afraid to ask. Methods 2010, 52:99-105.
-
(2010)
Methods
, vol.52
, pp. 99-105
-
-
Pande, V.S.1
-
90
-
-
0034623787
-
COMPUTING: Screen Savers of the World Unite!
-
Shirts M., Pande V.S. COMPUTING: Screen Savers of the World Unite!. Science 2000, 290:1903-1904.
-
(2000)
Science
, vol.290
, pp. 1903-1904
-
-
Shirts, M.1
Pande, V.S.2
-
91
-
-
0001616080
-
Replica-exchange molecular dynamics method for protein folding
-
Sugita Y., Okamoto Y. Replica-exchange molecular dynamics method for protein folding. Chem. Phys. Lett. 1999, 314:141-151.
-
(1999)
Chem. Phys. Lett.
, vol.314
, pp. 141-151
-
-
Sugita, Y.1
Okamoto, Y.2
-
92
-
-
41549127613
-
A temperature predictor for parallel tempering simulations
-
Patriksson A., van der Spoel D. A temperature predictor for parallel tempering simulations. Phys. Chem. Chem. Phys. 2008, 10:2073-2077.
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 2073-2077
-
-
Patriksson, A.1
van der Spoel, D.2
-
93
-
-
46249092554
-
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
-
Hess B., et al. GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation. J. Chem. Theor. Comput. 2008, 4:435-447.
-
(2008)
J. Chem. Theor. Comput.
, vol.4
, pp. 435-447
-
-
Hess, B.1
-
94
-
-
64649105762
-
Accelerating molecular dynamic simulation on graphics processing units
-
Friedrichs M.S., et al. Accelerating molecular dynamic simulation on graphics processing units. J. Comput. Chem. 2009, 30:864-872.
-
(2009)
J. Comput. Chem.
, vol.30
, pp. 864-872
-
-
Friedrichs, M.S.1
-
95
-
-
84875094057
-
Performance analysis cluster and GPU computing environment on molecular dynamic simulation of BRV-1 and REM2 with GROMACS
-
Suhartanto H., et al. Performance analysis cluster and GPU computing environment on molecular dynamic simulation of BRV-1 and REM2 with GROMACS. Int. J. Comput. Sci. Issues 2012, 8:131-135.
-
(2012)
Int. J. Comput. Sci. Issues
, vol.8
, pp. 131-135
-
-
Suhartanto, H.1
-
96
-
-
84863667059
-
Anton, a special-purpose molecular simulation machine
-
Springer, US, D. Padua (Ed.)
-
Dror R.O., et al. Anton, a special-purpose molecular simulation machine. Encyclopedia of Parallel Computing 2011, 60-71. Springer, US. D. Padua (Ed.).
-
(2011)
Encyclopedia of Parallel Computing
, pp. 60-71
-
-
Dror, R.O.1
-
97
-
-
38749123962
-
P-LINCS: a parallel linear constraint solver for molecular simulation
-
Hess B. P-LINCS: a parallel linear constraint solver for molecular simulation. J. Chem. Theor. Comput. 2007, 4:116-122.
-
(2007)
J. Chem. Theor. Comput.
, vol.4
, pp. 116-122
-
-
Hess, B.1
-
98
-
-
0026646376
-
Molecular dynamics study of a complex between the human histocompatibility antigen HLA-A2 and the IMP58-66 nonapeptide from influenza virus matrix protein
-
Rognan D., et al. Molecular dynamics study of a complex between the human histocompatibility antigen HLA-A2 and the IMP58-66 nonapeptide from influenza virus matrix protein. Eur. J. Biochem. 1992, 208:101-113.
-
(1992)
Eur. J. Biochem.
, vol.208
, pp. 101-113
-
-
Rognan, D.1
-
99
-
-
56049117665
-
Protein-protein interaction investigated by steered molecular dynamics: the TCR-pMHC complex
-
Cuendet M.A., Michielin O. Protein-protein interaction investigated by steered molecular dynamics: the TCR-pMHC complex. Biophys. J. 2008, 95:3575-3590.
-
(2008)
Biophys. J.
, vol.95
, pp. 3575-3590
-
-
Cuendet, M.A.1
Michielin, O.2
-
100
-
-
84915787472
-
Large scale characterization of the LC13 TCR and HLA-B8 structural landscape in reaction to 172 altered peptide ligands: a molecular dynamics simulation study
-
Knapp B., et al. Large scale characterization of the LC13 TCR and HLA-B8 structural landscape in reaction to 172 altered peptide ligands: a molecular dynamics simulation study. PLoS Comput. Biol. 2014, 10:e1003748.
-
(2014)
PLoS Comput. Biol.
, vol.10
, pp. e1003748
-
-
Knapp, B.1
|