-
1
-
-
0037071346
-
Real-space rigid-unit-mode analysis of dynamic disorder in quartz, cristobalite and amorphous silica
-
Wells SA, Dove MT, Tucker MG, Trachenko K (2002) Real-space rigid-unit-mode analysis of dynamic disorder in quartz, cristobalite and amorphous silica. J Phys Condens Matter 14 (18):4645-4657
-
(2002)
J Phys Condens Matter
, vol.14
, Issue.18
, pp. 4645-4657
-
-
Wells, S.A.1
Dove, M.T.2
Tucker, M.G.3
Trachenko, K.4
-
2
-
-
33751566205
-
The flexibility window in zeolites
-
Sartbaeva A, Wells SA, Treacy MMJ, Thorpe MF (2006) The flexibility window in zeolites. Nat Mater 5(12):962-965
-
(2006)
Nat Mater
, vol.5
, Issue.12
, pp. 962-965
-
-
Sartbaeva, A.1
Wells, S.A.2
Treacy, M.M.J.3
Thorpe, M.F.4
-
3
-
-
84874055051
-
Template-based geometric simulation of flexible frameworks
-
(Special issue "Computer modelling of microporous materials")
-
Wells SA, Sartbaeva A (2012) Template-based geometric simulation of flexible frameworks. Materials 5:415-431 (Special issue "Computer modelling of microporous materials")
-
(2012)
Materials
, vol.5
, pp. 415-431
-
-
Wells, S.A.1
Sartbaeva, A.2
-
4
-
-
27744471408
-
Constrained geometric simulation of diffusive motion in proteins
-
doi:10.1088/1478-3975/2/4/S07
-
Wells S, Menor S, Hespenheide B, Thorpe MF (2005) Constrained geometric simulation of diffusive motion in proteins. Phys Biol 2(4): S127-S136. doi:10.1088/1478-3975/2/4/S07
-
(2005)
Phys Biol
, vol.2
, Issue.4
-
-
Wells, S.1
Menor, S.2
Hespenheide, B.3
Thorpe, M.F.4
-
5
-
-
0035427398
-
Protein flexibility predictions using graph theory
-
Jacobs DJ, Rader AJ, Kuhn LA, Thorpe MF (2001) Protein flexibility predictions using graph theory. Proteins 44(2):150-165
-
(2001)
Proteins
, vol.44
, Issue.2
, pp. 150-165
-
-
Jacobs, D.J.1
Rader, A.J.2
Kuhn, L.A.3
Thorpe, M.F.4
-
6
-
-
84856954623
-
Rapid simulation of protein motion: Merging flexibility, rigidity and normal mode analyses
-
doi:10.1088/1478-3975/9/1/016008
-
Jimenez-Roldan JE, Freedman RB, Romer RA, Wells SA (2012) Rapid simulation of protein motion: merging flexibility, rigidity and normal mode analyses. Phys Biol 9(1):016008. doi:10.1088/1478-3975/9/1/016008
-
(2012)
Phys Biol
, vol.9
, Issue.1
, pp. 016008
-
-
Jimenez-Roldan, J.E.1
Freedman, R.B.2
Romer, R.A.3
Wells, S.A.4
-
7
-
-
84865410736
-
Protein flexibility is key to cisplatin crosslinking in calmodulin
-
doi:10.1002/pro.2111
-
Li H, Wells SA, Jimenez-Roldan JE, Romer RA, Zhao Y, Sadler PJ, O'Connor PB (2012) Protein flexibility is key to cisplatin crosslinking in calmodulin. Protein Sci 21(9):1269-1279. doi:10.1002/pro.2111
-
(2012)
Protein Sci
, vol.21
, Issue.9
, pp. 1269-1269
-
-
Li, H.1
Wells, S.A.2
Jimenez-Roldan, J.E.3
Romer, R.A.4
Zhao, Y.5
Sadler, P.J.6
O'Connor, P.B.7
-
8
-
-
84857302692
-
Exploring the energy landscapes of protein folding simulations with Bayesian computation
-
Burkoff NS, Varnai C, Wells SA, Wild DL (2012) Exploring the energy landscapes of protein folding simulations with Bayesian computation. Biophys J 102(3):446a
-
(2012)
Biophys J
, vol.102
, Issue.3
-
-
Burkoff, N.S.1
Varnai, C.2
Wells, S.A.3
Wild, D.L.4
-
9
-
-
84874024456
-
High-resolution NMR studies of structure and dynamics of human ERp27 indicate extensive inter-domain flexibility
-
doi:10.1042/BJ20121635
-
Amin NT, Wallis AK, Wells SA, Rowe ML, Williamson RA, Howard MJ, Freedman RB (2012) High-resolution NMR studies of structure and dynamics of human ERp27 indicate extensive inter-domain flexibility. Biochem J 450:321. doi:10.1042/BJ20121635
-
(2012)
Biochem J
, vol.450
, pp. 321
-
-
Amin, N.T.1
Wallis, A.K.2
Wells, S.A.3
Rowe, M.L.4
Williamson, R.A.5
Howard, M.J.6
Freedman, R.B.7
-
10
-
-
77957948190
-
Generating stereochemically acceptable protein pathways
-
Farrell DW, Speranskiy K, Thorpe MF (2010) Generating stereochemically acceptable protein pathways. Proteins 78(14):2908-2921
-
(2010)
Proteins
, vol.78
, Issue.14
, pp. 2908-2921
-
-
Farrell, D.W.1
Speranskiy, K.2
Thorpe, M.F.3
-
11
-
-
79960718392
-
A normal mode-based geometric simulation approach for exploring biologically relevant conformational transitions in proteins
-
doi:10.1021/ci100461k
-
Ahmed A, Rippmann F, Barnickel G, GohlkeH (2011) A normal mode-based geometric simulation approach for exploring biologically relevant conformational transitions in proteins. J Chem Inf Model 51(7):1604-1622. doi:10.1021/ ci100461k
-
(2011)
J Chem Inf Model
, vol.51
, Issue.7
, pp. 1604-1622
-
-
Ahmed, A.1
Rippmann, F.2
Barnickel, G.3
Gohlke, H.4
-
12
-
-
84864476417
-
NMSim web server: Integrated approach for normal mode-based geometric simulations of biologically relevant conformational transitions in proteins
-
Web Server issue doi:10.1093/nar/gks478
-
Kruger DM, Ahmed A, Gohlke H (2012) NMSim web server: integrated approach for normal mode-based geometric simulations of biologically relevant conformational transitions in proteins. Nucleic Acids Res 40(Web Server issue):W310-W316. doi:10.1093/nar/gks478
-
(2012)
Nucleic Acids Res
, vol.40
-
-
Kruger, D.M.1
Ahmed, A.2
Gohlke, H.3
-
14
-
-
0033614004
-
Asparagine and glutamine: Using hydrogen atom contacts in the choice of side-chain amide orientation
-
doi:10.1006/jmbi.1998.2401
-
Word JM, Lovell SC, Richardson JS, Richardson DC (1999) Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation. J Mol Biol 285(4):1735-1747. doi:10.1006/jmbi.1998.2401
-
(1999)
J Mol Biol
, vol.285
, Issue.4
, pp. 1735-1747
-
-
Word, J.M.1
Lovell, S.C.2
Richardson, J.S.3
Richardson, D.C.4
-
15
-
-
3242875210
-
ElNemo: A normal mode web server for protein movement analysis and the generation of templates for molecular replacement
-
Web Server issue doi:10.1093/nar/gkh368
-
Suhre K, Sanejouand YH (2004) ElNemo: a normal mode web server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Res 32 (Web Server issue):W610-W614. doi:10.1093/nar/gkh368
-
(2004)
Nucleic Acids Res
, vol.32
-
-
Suhre, K.1
Sanejouand, Y.H.2
-
16
-
-
0037133552
-
Protein unfolding: Rigidity lost
-
doi:10.1073/pnas.062492699
-
Rader AJ, Hespenheide BM, Kuhn LA, Thorpe MF (2002) Protein unfolding: rigidity lost. Proc Natl Acad Sci USA 99(6):3540-3545. doi:10.1073/pnas. 062492699
-
(2002)
Proc Natl Acad Sci USA
, vol.99
, Issue.6
, pp. 3540-3545
-
-
Rader, A.J.1
Hespenheide, B.M.2
Kuhn, L.A.3
Thorpe, M.F.4
-
17
-
-
54549098184
-
Target flexibility: An emerging consideration in drug discovery and design
-
Cozzini P, Kellogg GE, Spyrakis F, Abraham DJ, Costantino G, Emerson A, Fanelli F, Gohlke H, Kuhn LA, Morris GM, Orozco M, Pertinhez TA, Rizzi M, Sotriffer CA (2008) Target flexibility: an emerging consideration in drug discovery and design. J Med Chem 51 (20):6237-6255
-
(2008)
J Med Chem
, vol.51
, Issue.20
, pp. 6237-6255
-
-
Cozzini, P.1
Kellogg, G.E.2
Spyrakis, F.3
Abraham, D.J.4
Costantino, G.5
Emerson, A.6
Fanelli, F.7
Gohlke, H.8
Kuhn, L.A.9
Morris, G.M.10
Orozco, M.11
Pertinhez, T.A.12
Rizzi, M.13
Sotriffer, C.A.14
-
18
-
-
70350714701
-
Comparative analysis of rigidity across protein families
-
doi:10.1088/1478-3975/6/4/046005
-
Wells SA, Jimenez-Roldan JE, Roemer RA (2009) Comparative analysis of rigidity across protein families. Phys Biol 6(4):046005. doi:10.1088/1478-3975/ 6/4/046005
-
(2009)
Phys Biol
, vol.6
, Issue.4
, pp. 046005
-
-
Wells, S.A.1
Jimenez-Roldan, J.E.2
Roemer, R.A.3
-
19
-
-
84856579411
-
Inhibition of HIV-1 protease: The rigidity perspective
-
doi:10.1093/bioinformatics/btr683
-
Heal JW, Jimenez-Roldan JE, Wells SA, Freedman RB, Romer RA (2012) Inhibition of HIV-1 protease: the rigidity perspective. Bioinformatics 28(3):350-357. doi:10.1093/bioinformatics/btr683
-
(2012)
Bioinformatics
, vol.28
, Issue.3
, pp. 350-357
-
-
Heal, J.W.1
Jimenez-Roldan, J.E.2
Wells, S.A.3
Freedman, R.B.4
Romer, R.A.5
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