-
1
-
-
68149100477
-
-
Arnautova YA, Vila JA, Martin OA, Scheraga HA (2009) Acta Cryst D, D65, 697-703
-
(2009)
Acta Cryst D
, vol.D65
, pp. 697-703
-
-
Arnautova, Y.A.1
Vila, J.A.2
Martin, O.A.3
Scheraga, H.A.4
-
2
-
-
0033954256
-
The protein data bank
-
10.1093/nar/28.1.235
-
HM Berman J Westbrook Z Feng G Gilliland TN Bhat H Weissig IN Shindyalov PE Bourne 2000 The protein data bank Nucleic Acids Res 28 235 242 10.1093/nar/28.1.235
-
(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
-
3
-
-
0035888284
-
Universal similarity measure for comparing protein structures
-
DOI 10.1002/1097-0282(20011015)59:5<305::AID-BIP1027>3.0.CO;2-6
-
MR Betancourt J Skolnick 2001 Universal similarity measure for comparing protein structures Biopolymers 59 305 309 10.1002/1097-0282(20011015)59: 5<305::AID-BIP1027>3.0.CO;2-6 (Pubitemid 32924183)
-
(2001)
Biopolymers
, vol.59
, Issue.5
, pp. 305-309
-
-
Betancourt, M.R.1
Skolnick, J.2
-
4
-
-
0034977013
-
A normalized root-mean-square distance for comparing protein three-dimensional structures
-
DOI 10.1110/ps.690101
-
O Carugo S Pongor 2001 A normalized root-mean-square distance for comparing protein three-dimensional structures Proteins Sci 10 1470 1473 10.1110/ps.690101 (Pubitemid 32568114)
-
(2001)
Protein Science
, vol.10
, Issue.7
, pp. 1470-1473
-
-
Carugo, O.1
Pongor, S.2
-
5
-
-
84988097454
-
Locally dense basis-sets for chemical-shift calculations
-
10.1002/jcc.540100507
-
DB Chesnut KD Moore 1989 Locally dense basis-sets for chemical-shift calculations J Comp Chem 10 648 659 10.1002/jcc.540100507
-
(1989)
J Comp Chem
, vol.10
, pp. 648-659
-
-
Chesnut, D.B.1
Moore, K.D.2
-
6
-
-
0032528033
-
Validation of protein structure from anisotropic carbonyl chemical shifts in a dilute liquid crystalline phase
-
DOI 10.1021/ja9812610
-
G Cornilescu JL Marquardt M Ottiger A Bax 1998 Validation of protein structure from anisotropic carbonyl chemical shifts in a dilute liquid crystalline phase J Am Chem Soc 120 6836 6837 10.1021/ja9812610 (Pubitemid 28347351)
-
(1998)
Journal of the American Chemical Society
, vol.120
, Issue.27
, pp. 6836-6837
-
-
Cornilescu, G.1
Marquardt, J.L.2
Ottiger, M.3
Bax, A.4
-
7
-
-
0027308278
-
Secondary and tertiary structural effects on protein NMR chemical shifts: An ab initio approach
-
10.1126/science.8502992 1993Sci.260.1491D
-
AC de Dios JG Pearson E Oldfield 1993 Secondary and tertiary structural effects on protein NMR chemical shifts: an ab initio approach Science 260 1491 1496 10.1126/science.8502992 1993Sci...260.1491D
-
(1993)
Science
, vol.260
, pp. 1491-1496
-
-
De Dios, A.C.1
Pearson, J.G.2
Oldfield, E.3
-
8
-
-
11344274827
-
-
Gaussian Wallingford
-
Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Zakrzewski VG, Montgomery JA, Stratmann RE Jr, Burant JC, Dapprich S, Millam JM, Daniels AD, Kudin KN, Strain MC, Farkas O, Tomasi J, Barone V, Cossi M, Cammi R, Mennucci B, Pomelli C, Adamo C, Clifford S, Ochterski J, Petersson GA, Ayala PY, Cui Q, Morokuma K, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Cioslowski J, Ortiz V, Baboul AG, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Gomperts R, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Gonzalez C, Chal-lacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Andres JL, Gonzalez C, Head-Gordon M, Replogle ES, Pople JA (2004) Gaussian 03, Revision E.01. Gaussian, Wallingford
-
(2004)
Gaussian 03, Revision E.01
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann Jr, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Chal-Lacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
-
9
-
-
0031465495
-
An ab initio quantum chemical investigation of carbon-13 NMR shielding tensors in glycine, alanine, valine, isoleucine, serine, and threonine: Comparisons between helical and sheet tensors, and the effects of (χ1) on shielding
-
DOI 10.1021/ja971796d
-
RH Havlin H Le DD Laws AC de Dios E Oldfield 1997 An ab initio quantum chemical investigation of carbon-13 NMR shielding tensors in glycine, alanine, valine, isoleucine, serine, and threonine: comparisons between helical and sheet tensors, and effects of χ1 on shielding J Am Chem Soc 119 11951 11958 10.1021/ja971796d (Pubitemid 28012761)
-
(1997)
Journal of the American Chemical Society
, vol.119
, Issue.49
, pp. 11951-11958
-
-
Havlin, R.H.1
Le, H.2
Laws, D.D.3
Dedios, A.C.4
Oldfield, E.5
-
10
-
-
33847007324
-
Crystal structure of the catalytic domain of matrix metalloproteinase-1 in complex with the inhibitory domain of tissue inhibitor of metalloproteinase-1
-
DOI 10.1074/jbc.M607625200
-
S Iyer S Wei K Brew KR Acharya 2007 Crystal structure of the catalytic domain of matrix metalloproteinase-1 in complex with the inhibitory domain of tissue inhibitor of metalloproteinase-1 J Biol Chem 282 364 371 10.1074/jbc.M607625200 (Pubitemid 47076625)
-
(2007)
Journal of Biological Chemistry
, vol.282
, Issue.1
, pp. 364-371
-
-
Iyer, S.1
Wei, S.2
Brew, K.3
Acharya, K.R.4
-
12
-
-
24344466982
-
Solution structure of an antifreeze protein CfAFP-501 from choristoneura fumiferana
-
DOI 10.1007/s10858-005-8206-3
-
C Li X Guo Z Jia B Xia C Jin 2005 Solution structure of an antifreeze protein CfAFP-501 from choristoneura fumiferana J Biomol NMR 32 251 256 10.1007/s10858-005-8206-3 (Pubitemid 41258805)
-
(2005)
Journal of Biomolecular NMR
, vol.32
, Issue.3
, pp. 251-256
-
-
Li, C.1
Guo, X.2
Jia, Z.3
Xia, B.4
Jin, C.5
-
13
-
-
0029057126
-
Size-independent comparison of protein three-dimensional structures
-
10.1002/prot.340220308
-
VN Maiorov GM Crippen 1995 Size-independent comparison of protein three-dimensional structures Proteins 22 273 283 10.1002/prot.340220308
-
(1995)
Proteins
, vol.22
, pp. 273-283
-
-
Maiorov, V.N.1
Crippen, G.M.2
-
14
-
-
0027155345
-
Disulfide bond isomerization in BPTI and BPTI(G36S): An NMR study of correlated mobility in proteins
-
G Otting E Liepinsh K Wüthrich 1993 Disulfide bond isomerization in BPTI and BPTI(G36S): an NMR study of correlated mobility in proteins Biochemistry 32 3571 3582 10.1021/bi00065a008 (Pubitemid 23126931)
-
(1993)
Biochemistry
, vol.32
, Issue.14
, pp. 3571-3582
-
-
Otting, G.1
Liepinsh, E.2
Wuthrich, K.3
-
15
-
-
0031450809
-
Predicting chemical shifts in proteins: Structure refinement of valine residues by using ab initio and empirical geometry optimizations
-
DOI 10.1021/ja971461w
-
JG Pearson H Le LK Sanders N Godbout RH Havlin EJ Oldfield 1997 Predicting chemical shifts in proteins: structure refinement of valine residues by using ab initio and empirical geometry optimizations J Am Chem Soc 119 11941 11950 10.1021/ja971461w (Pubitemid 28012760)
-
(1997)
Journal of the American Chemical Society
, vol.119
, Issue.49
, pp. 11941-11950
-
-
Pearson, J.G.1
Le, H.2
Sanders, L.K.3
Godbout, N.4
Havlin, R.H.5
Oldfield, E.6
-
16
-
-
0033626528
-
13C NMR chemical shifts can predict disulfide bond formation
-
10.1023/A:1008398416292
-
13C NMR chemical shifts can predict disulfide bond formation J Biomol NMR 18 165 171 10.1023/A:1008398416292
-
(2000)
J Biomol NMR
, vol.18
, pp. 165-171
-
-
Sharma, D.1
Rajarathnam, K.2
-
17
-
-
0347610773
-
13C nuclear magnetic resonance chemical shifts
-
10.1021/ja00014a071
-
13C nuclear magnetic resonance chemical shifts J Am Chem Soc 113 5490 5492 10.1021/ja00014a071
-
(1991)
J Am Chem Soc
, vol.113
, pp. 5490-5492
-
-
Spera, S.1
Bax, A.2
-
18
-
-
0037094144
-
Carbon-13 NMR shielding in the twenty common amino acids: Comparisons with experimental results in proteins
-
DOI 10.1021/ja011863a
-
H Sun LK Sanders E Oldfield 2002 Carbon-13 NMR shielding in the twenty common amino acids: comparisons with experimental results in proteins J Am Chem Soc 124 5486 5495 10.1021/ja011863a (Pubitemid 34506947)
-
(2002)
Journal of the American Chemical Society
, vol.124
, Issue.19
, pp. 5486-5495
-
-
Sun, H.1
Sanders, L.K.2
Oldfield, E.3
-
19
-
-
38549138986
-
BioMagResBank
-
DOI 10.1093/nar/gkm957
-
EL Ulrich H Akutsu HJ Doreleijers Y Harano YE Ioannidis J Lin M Livny S Mading D Maziuk Z Miller E Nakatani CF Schulte DE Tolmie RK Wenger H Yao JL Markley 2007 BioMagResBank Nucleic Acids Res 36 D402 D408 10.1093/nar/gkm957 (Pubitemid 351149757)
-
(2008)
Nucleic Acids Research
, vol.36
, Issue.SUPPL. 1
-
-
Ulrich, E.L.1
Akutsu, H.2
Doreleijers, J.F.3
Harano, Y.4
Ioannidis, Y.E.5
Lin, J.6
Livny, M.7
Mading, S.8
Maziuk, D.9
Miller, Z.10
Nakatani, E.11
Schulte, C.F.12
Tolmie, D.E.13
Kent Wenger, R.14
Yao, H.15
Markley, J.L.16
-
20
-
-
0000581902
-
Raman spectra of cystine-related disulfides. Effect of rotational isomerism about carbon-sulfur bonds on sulfur-sulfur stretching frequencies
-
10.1021/j100557a015
-
HE Van Wart HA Scheraga 1976 Raman spectra of cystine-related disulfides. Effect of rotational isomerism about carbon-sulfur bonds on sulfur-sulfur stretching frequencies J Phys Chem 80 1812 1823 10.1021/j100557a015
-
(1976)
J Phys Chem
, vol.80
, pp. 1812-1823
-
-
Van Wart, H.E.1
Scheraga, H.A.2
-
21
-
-
0017435171
-
Stable conformations of aliphatic disulfides: Influence of 1, 4 interactions involving sulfur atoms
-
10.1073/pnas.74.1.13 1977PNAS.74.13W
-
HE Van Wart HA Scheraga 1977 Stable conformations of aliphatic disulfides: influence of 1, 4 interactions involving sulfur atoms Proc Natl Acad Sci USA 74 13 17 10.1073/pnas.74.1.13 1977PNAS...74...13W
-
(1977)
Proc Natl Acad Sci USA
, vol.74
, pp. 13-17
-
-
Van Wart, H.E.1
Scheraga, H.A.2
-
22
-
-
41149110741
-
α chemical shifts to determine, refine, and validate protein structures
-
DOI 10.1002/prot.21726
-
α chemical shifts to determine, refine, and validate protein structures Proteins: Struct Funct Bioinform 71 641 654 10.1002/prot.21726 (Pubitemid 351430004)
-
(2008)
Proteins: Structure, Function and Genetics
, vol.71
, Issue.2
, pp. 641-654
-
-
Vila, J.A.1
Scheraga, H.A.2
-
25
-
-
55749100006
-
α chemical shift calculations for protein NMR structure determination, refinement, and validation
-
10.1073/pnas.0807105105 2008PNAS.10514389V
-
α chemical shift calculations for protein NMR structure determination, refinement, and validation Proc Natl Acad Sci USA 105 14389 14394 10.1073/pnas.0807105105 2008PNAS..10514389V
-
(2008)
Proc Natl Acad Sci USA
, vol.105
, pp. 14389-14394
-
-
Vila, J.A.1
Aramini, J.A.2
Rossi, P.3
Kuzin, A.4
Su, M.5
Seetharaman, J.6
Xiao, R.7
Tong, L.8
Montelione, G.T.9
Scheraga, H.A.10
-
27
-
-
33846534645
-
13C chemical shifts of antiparallel β-sheet model peptides
-
DOI 10.1007/s10858-006-9118-6
-
α chemical shifts of antiparallel β-sheet model peptides J Biomol NMR 37 137 146 10.1007/s10858-006-9118-6 (Pubitemid 46157978)
-
(2007)
Journal of Biomolecular NMR
, vol.37
, Issue.2
, pp. 137-146
-
-
Villegas, M.E.1
Vila, J.A.2
Scheraga, H.A.3
-
28
-
-
0036129107
-
Probability-based protein secondary structure identification using combined NMR chemical-shift data
-
DOI 10.1110/ps.3180102
-
Y Wang O Jardetzky 2002 Probability-based protein secondary structure identification using combined NMR chemical-shift data Protein Sci 11 852 861 10.1110/ps.3180102 (Pubitemid 34241293)
-
(2002)
Protein Science
, vol.11
, Issue.4
, pp. 852-861
-
-
Wang, Y.1
Jardetzky, O.2
-
29
-
-
36248939782
-
"Forbidden" disulfides: Their role as redox switches
-
DOI 10.2174/138920307782411464
-
MA Wouters RA George NL Haworth 2007 "Forbidden" disulfides: their role as redox switches Curr Protein Pept Sci 8 5 484 495 10.2174/138920307782411464 (Pubitemid 350130983)
-
(2007)
Current Protein and Peptide Science
, vol.8
, Issue.5
, pp. 484-495
-
-
Wouters, M.A.1
George, R.A.2
Haworth, N.L.3
-
30
-
-
0035544152
-
13C′ chemical shifts in proteins using a density functional database
-
DOI 10.1023/A:1013324104681
-
χ chemical shifts in proteins using a density functional database J Biomol NMR 21 321 333 10.1023/A:1013324104681 (Pubitemid 34071387)
-
(2001)
Journal of Biomolecular NMR
, vol.21
, Issue.4
, pp. 321-333
-
-
Xu X.-P. Xiao-Ping1
Case, D.A.2
|