-
1
-
-
0037093640
-
Welcome to CAPRI: a critical assessment of predicted interactions
-
Janin J. Welcome to CAPRI: a critical assessment of predicted interactions. Proteins 2002;47:257.
-
(2002)
Proteins
, vol.47
, pp. 257
-
-
Janin, J.1
-
2
-
-
1842861590
-
Prediction of protein-protein interactions: the CAPRI experiment, its evaluation and implications
-
Wodak SJ, Mendez R. Prediction of protein-protein interactions: the CAPRI experiment, its evaluation and implications. Curr Opin Struct Biol 2004;14:242-249.
-
(2004)
Curr Opin Struct Biol
, vol.14
, pp. 242-249
-
-
Wodak, S.J.1
Mendez, R.2
-
3
-
-
21644469377
-
Assessment of CAPRI predictions in rounds 3-5 shows progress in docking procedures
-
Mendez, R, Leplae R, Lensink MF, Wodak SJ. Assessment of CAPRI predictions in rounds 3-5 shows progress in docking procedures. Proteins 2005;60:150-169.
-
(2005)
Proteins
, vol.60
, pp. 150-169
-
-
Mendez, R.1
Leplae, R.2
Lensink, M.F.3
Wodak, S.J.4
-
4
-
-
77957934896
-
Docking and scoring protein interactions: CAPRI 2009
-
Lensink MF, Wodak SJ. Docking and scoring protein interactions: CAPRI 2009. Proteins 2010;78:3073-3084.
-
(2010)
Proteins
, vol.78
, pp. 3073-3084
-
-
Lensink, M.F.1
Wodak, S.J.2
-
5
-
-
0038583687
-
Protein-protein docking with a reduced protein model accounting for side-chain flexibility
-
Zacharias M. Protein-protein docking with a reduced protein model accounting for side-chain flexibility. Protein Sci 2003; 12:1271-1282.
-
(2003)
Protein Sci
, vol.12
, pp. 1271-1282
-
-
Zacharias, M.1
-
6
-
-
21644435306
-
ATTRACT: Protein-protein docking in CAPRI using a reduced protein model
-
Zacharias M. ATTRACT: Protein-protein docking in CAPRI using a reduced protein model. Proteins 2005;60:252-256.
-
(2005)
Proteins
, vol.60
, pp. 252-256
-
-
Zacharias, M.1
-
7
-
-
66149165880
-
PTools: an opensource molecular docking library
-
Saladin A, Fiorucci S, Poulain P, Prévost C, Zacharias M. PTools: an opensource molecular docking library. BMC Struct Biol 2009;9:27-38.
-
(2009)
BMC Struct Biol
, vol.9
, pp. 27-38
-
-
Saladin, A.1
Fiorucci, S.2
Poulain, P.3
Prévost, C.4
Zacharias, M.5
-
8
-
-
77957958670
-
Binding site prediction and improved scoring during flexible protein-protein docking with ATTRACT
-
Fiorucci S, Zacharias M. Binding site prediction and improved scoring during flexible protein-protein docking with ATTRACT. Proteins 2010;78:3131-3139.
-
(2010)
Proteins
, vol.78
, pp. 3131-3139
-
-
Fiorucci, S.1
Zacharias, M.2
-
9
-
-
33644843079
-
Accounting for loop flexibility during protein-protein docking
-
Bastard K, Prevost C, Zacharias M. Accounting for loop flexibility during protein-protein docking. Proteins 2006;62:956-969.
-
(2006)
Proteins
, vol.62
, pp. 956-969
-
-
Bastard, K.1
Prevost, C.2
Zacharias, M.3
-
10
-
-
29144485503
-
Accounting for protein deformability during protein-protein and protein-ligand docking
-
May A, Zacharias M. Accounting for protein deformability during protein-protein and protein-ligand docking. Biochim Biophys Acta 2005;1754:225-231.
-
(2005)
Biochim Biophys Acta
, vol.1754
, pp. 225-231
-
-
May, A.1
Zacharias, M.2
-
11
-
-
38549097715
-
Energy minimization in low-frequency normal modes to efficiently allow for global flexibility during systematic protein-protein docking
-
May A, Zacharias M. Energy minimization in low-frequency normal modes to efficiently allow for global flexibility during systematic protein-protein docking. Proteins 2008;70:794-809.
-
(2008)
Proteins
, vol.70
, pp. 794-809
-
-
May, A.1
Zacharias, M.2
-
12
-
-
84871327327
-
ATTRACT-EM: a new method for the computational assembly of large molecular machines using Cryo-EM maps
-
de Vries SJ, Zacharias M. ATTRACT-EM: a new method for the computational assembly of large molecular machines using Cryo-EM maps. PLoS One 2012;7:e49733.
-
(2012)
PLoS One
, vol.7
-
-
de Vries, S.J.1
Zacharias, M.2
-
13
-
-
84871061224
-
Combining coarse-grained nonbonded and atomistic bonded interactions for protein modeling
-
Zacharias M. Combining coarse-grained nonbonded and atomistic bonded interactions for protein modeling. Proteins 2013;81:81-92.
-
(2013)
Proteins
, vol.81
, pp. 81-92
-
-
Zacharias, M.1
-
15
-
-
36749107785
-
Molecular dynamics simulations at constant pressure and/or temperature
-
Andersen HC. Molecular dynamics simulations at constant pressure and/or temperature. J Chem Phys 1980;72:2384-2393.
-
(1980)
J Chem Phys
, vol.72
, pp. 2384-2393
-
-
Andersen, H.C.1
-
16
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen HJC, Postma JPM, van Gunsteren WF, DiNola A, Haak JR. Molecular dynamics with coupling to an external bath. J Chem Phys 1984;81:3684-3690.
-
(1984)
J Chem Phys
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
van Gunsteren, W.F.3
DiNola, A.4
Haak, J.R.5
-
17
-
-
25844459462
-
-
San Francisco, CA: University of California
-
Case D, Pearlman DA, Caldwell JW, Cheatham TE, III, Ross WS, Simmerling CL, Darden TA, Merz KM, Stanton RV, Cheng AL, Vincent JJ, Crowley M, Tsui V, Radmer RJ, Duan Y, Pitera J, Massova I, Seibel GL, Singh UC, Weiner PK, Kollman PA. Amber 8. San Francisco, CA: University of California, 2003.
-
(2003)
Amber 8
-
-
Case, D.1
Pearlman, D.A.2
Caldwell, J.W.3
Cheatham III, T.E.4
Ross, W.S.5
Simmerling, C.L.6
Darden, T.A.7
Merz, K.M.8
Stanton, R.V.9
Cheng, A.L.10
Vincent, J.J.11
Crowley, M.12
Tsui, V.13
Radmer, R.J.14
Duan, Y.15
Pitera, J.16
Massova, I.17
Seibel, G.L.18
Singh, U.C.19
Weiner, P.K.20
Kollman, P.A.21
more..
-
18
-
-
80051719282
-
Mechanism of activation of methyltransferases involved in translation by the Trm112 'hub' protein
-
Liger D, Mora L, Lazar N, Figaro S, Henri J, Scrima N, Buckingham RH, van Tilbeurgh H, Heurgué-Hamard V, Graille M. Mechanism of activation of methyltransferases involved in translation by the Trm112 'hub' protein. Nucleic Acids Res 2011;39:6249-6259.
-
(2011)
Nucleic Acids Res
, vol.39
, pp. 6249-6259
-
-
Liger, D.1
Mora, L.2
Lazar, N.3
Figaro, S.4
Henri, J.5
Scrima, N.6
Buckingham, R.H.7
van Tilbeurgh, H.8
Heurgué-Hamard, V.9
Graille, M.10
-
20
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML. 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
-
21
-
-
79956017135
-
Computational design of proteins targeting the conserved stem region of influenza hemagglutinin
-
Fleishman SJ, Whitehead TA, Ekiert DC, Dreyfus C, Corn JE, Strauch EM, Wilson IA, Baker D. Computational design of proteins targeting the conserved stem region of influenza hemagglutinin. Science 2011;332:816-821.
-
(2011)
Science
, vol.332
, pp. 816-821
-
-
Fleishman, S.J.1
Whitehead, T.A.2
Ekiert, D.C.3
Dreyfus, C.4
Corn, J.E.5
Strauch, E.M.6
Wilson, I.A.7
Baker, D.8
-
22
-
-
70450106216
-
Improved prediction of protein side-chain conformations with SCWRL4
-
Krivov GG, Shapovalov MV, Dunbrack RL, Jr. Improved prediction of protein side-chain conformations with SCWRL4. Proteins 2009;77:778-795.
-
(2009)
Proteins
, vol.77
, pp. 778-795
-
-
Krivov, G.G.1
Shapovalov, M.V.2
Dunbrack Jr, R.L.3
-
23
-
-
78149446109
-
Designing coarse grained-and atom based-potentials for protein-protein docking
-
Tobi D. Designing coarse grained-and atom based-potentials for protein-protein docking. BMC Struct Biol 2010;10:40-51.
-
(2010)
BMC Struct Biol
, vol.10
, pp. 40-51
-
-
Tobi, D.1
-
24
-
-
84862025262
-
Optimization of affinity, specificity and function of designed influenza inhibitors using deep sequencing
-
Whitehead TA, Chevalier A, Song Y, Dreyfus C, Fleishman SJ, De Mattos C, Myers CA, Kamisetty H, Blair P, Wilson IA, Baker D. Optimization of affinity, specificity and function of designed influenza inhibitors using deep sequencing. Nat Biotechnol 2012;30:543-548.
-
(2012)
Nat Biotechnol
, vol.30
, pp. 543-548
-
-
Whitehead, T.A.1
Chevalier, A.2
Song, Y.3
Dreyfus, C.4
Fleishman, S.J.5
De Mattos, C.6
Myers, C.A.7
Kamisetty, H.8
Blair, P.9
Wilson, I.A.10
Baker, D.11
-
25
-
-
84888297774
-
BT4661/heparin complex
-
in press.
-
Lowe LEC, Basle A, Czjzek M, Thomas S, Murray H, Firbank SJ, Bolam DN. BT4661/heparin complex. Structure of Bt4661, a Suse-like surface located polysaccharide binding protein from the Bacteroides Thetaiotaomicron Heparin Utilisation, in press.
-
Structure of Bt4661, a Suse-like surface located polysaccharide binding protein from the Bacteroides Thetaiotaomicron Heparin Utilisation
-
-
Lowe, L.E.C.1
Basle, A.2
Czjzek, M.3
Thomas, S.4
Murray, H.5
Firbank, S.J.6
Bolam, D.N.7
-
26
-
-
0035964342
-
Electrostatics of nanosystems: application to microtubules and the ribosome
-
Baker NA, Sept D, Joseph S, Holst MJ, McCammon JA. Electrostatics of nanosystems: application to microtubules and the ribosome. Proc Natl Acad Sci USA 2001;98:10037-10041.
-
(2001)
Proc Natl Acad Sci USA
, vol.98
, pp. 10037-10041
-
-
Baker, N.A.1
Sept, D.2
Joseph, S.3
Holst, M.J.4
McCammon, J.A.5
-
28
-
-
0029912748
-
Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids
-
Jorgensen WL, Maxwell DS, Tirado-Rives J. Development and testing of the OPLS all-atom force field on conformational energetics and properties of organic liquids. J Am Chem Soc 1996;118:11225-11236.
-
(1996)
J Am Chem Soc
, vol.118
, pp. 11225-11236
-
-
Jorgensen, W.L.1
Maxwell, D.S.2
Tirado-Rives, J.3
-
29
-
-
84875215005
-
Structural basis of bacterial defense against g-type lysozyme-based innate immunity
-
Leysen S, Vanderkelen L, Weeks SD, Michiels CW, Strelkov SV. Structural basis of bacterial defense against g-type lysozyme-based innate immunity. Cell Mol Life Sci 2013, 70:1113-1122.
-
(2013)
Cell Mol Life Sci
, vol.70
, pp. 1113-1122
-
-
Leysen, S.1
Vanderkelen, L.2
Weeks, S.D.3
Michiels, C.W.4
Strelkov, S.V.5
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