-
1
-
-
30344475200
-
Progress over the first decade of CASP experiments
-
10.1002/prot.20740 16187365
-
Kryshtafovych A Venclovas C Fidelis K Moult J Progress over the first decade of CASP experiments Proteins 2005, 61(Suppl 7):225-36. 10.1002/ prot.20740 16187365
-
(2005)
Proteins
, vol.61
, Issue.SUPPL. 7
, pp. 225-236
-
-
Kryshtafovych, A.1
Venclovas, C.2
Fidelis, K.3
Moult, J.4
-
2
-
-
21144442648
-
Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests
-
1140449 15894609 10.1073/pnas.0502655102
-
Oldziej S Czaplewski C Liwo A Chinchio M Nanias M Vila JA Khalili M Arnautova YA Jagielska A Makowski M Schafroth HD Kazmierkiewicz R Ripoll DR Pillardy J Saunders JA Kang YK Gibson KD Scheraga HA Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests Proc Natl Acad Sci USA 2005, 102:7547-52. 1140449 15894609 10.1073/pnas.0502655102
-
(2005)
Proc Natl Acad Sci USA
, vol.102
, pp. 7547-7552
-
-
Oldziej, S.1
Czaplewski, C.2
Liwo, A.3
Chinchio, M.4
Nanias, M.5
Vila, J.A.6
Khalili, M.7
Arnautova, Y.A.8
Jagielska, A.9
Makowski, M.10
Schafroth, H.D.11
Kazmierkiewicz, R.12
Ripoll, D.R.13
Pillardy, J.14
Saunders, J.A.15
Kang, Y.K.16
Gibson, K.D.17
Scheraga, H.A.18
-
3
-
-
27344449197
-
Progress in modeling of protein structures and interactions
-
10.1126/science.1112160 16254179
-
Schueler-Furman O Wang C Bradley P Misura K Baker D Progress in modeling of protein structures and interactions Science 2005, 310:638-42. 10.1126/ science.1112160 16254179
-
(2005)
Science
, vol.310
, pp. 638-642
-
-
Schueler-Furman, O.1
Wang, C.2
Bradley, P.3
Misura, K.4
Baker, D.5
-
4
-
-
0034031680
-
Effective energy functions for protein structure prediction
-
10.1016/S0959-440X(00)00063-4 10753811
-
Lazaridis T Karplus M Effective energy functions for protein structure prediction Curr Opin Struct Biol 2000, 10:139-45. 10.1016/ S0959-440X(00)00063-4 10753811
-
(2000)
Curr Opin Struct Biol
, vol.10
, pp. 139-145
-
-
Lazaridis, T.1
Karplus, M.2
-
5
-
-
0021691918
-
An analysis of incorrectly folded protein models. Implications for structure predictions
-
10.1016/0022-2836(84)90049-4 6434748
-
Novotny J Bruccoleri R Karplus M An analysis of incorrectly folded protein models. Implications for structure predictions J Mol Biol 1984, 177:787-818. 10.1016/0022-2836(84)90049-4 6434748
-
(1984)
J Mol Biol
, vol.177
, pp. 787-818
-
-
Novotny, J.1
Bruccoleri, R.2
Karplus, M.3
-
6
-
-
0023804632
-
Criteria that discriminate between native proteins and incorrectly folded models
-
10.1002/prot.340040105 3186690
-
Novotny J Rashin AA Bruccoleri RE Criteria that discriminate between native proteins and incorrectly folded models Proteins 1988, 4:19-30. 10.1002/prot.340040105 3186690
-
(1988)
Proteins
, vol.4
, pp. 19-30
-
-
Novotny, J.1
Rashin, A.A.2
Bruccoleri, R.E.3
-
7
-
-
0031872292
-
Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model
-
10.1002/(SICI)1097-0134(19980901)32:4<399::AID-PROT1>3.0.CO;2-C 9726412
-
Vorobjev YN Almagro JC Hermans J Discrimination between native and intentionally misfolded conformations of proteins: ES/IS, a new method for calculating conformational free energy that uses both dynamics simulations with an explicit solvent and an implicit solvent continuum model Proteins 1998, 32:399-413. 10.1002/ (SICI)1097-0134(19980901)32:4<399::AID-PROT1>3.0.CO;2-C 9726412
-
(1998)
Proteins
, vol.32
, pp. 399-413
-
-
Vorobjev, Y.N.1
Almagro, J.C.2
Hermans, J.3
-
8
-
-
0032461411
-
Selecting near-native conformations in homology modeling: The role of molecular mechanics and solvation terms
-
2144075 10082374
-
Janardhan A Vajda S Selecting near-native conformations in homology modeling: The role of molecular mechanics and solvation terms Protein Sci 1998, 7:1772-80. 2144075 10082374
-
(1998)
Protein Sci
, vol.7
, pp. 1772-1780
-
-
Janardhan, A.1
Vajda, S.2
-
9
-
-
0033531959
-
Discrimination of the native from misfolded protein models with an energy function including implicit solvation
-
10.1006/jmbi.1999.2685 10329155
-
Lazaridis T Karplus M Discrimination of the native from misfolded protein models with an energy function including implicit solvation J Mol Biol 1999, 288:477-87. 10.1006/jmbi.1999.2685 10329155
-
(1999)
J Mol Biol
, vol.288
, pp. 477-487
-
-
Lazaridis, T.1
Karplus, M.2
-
10
-
-
0034560338
-
Discrimination of near-native protein structures from misfolded models by empirical free energy functions
-
10.1002/1097-0134(20001201)41:4<518::AID-PROT90>3.0.CO;2-6 11056039
-
Gatchell DW Dennis S Vajda S Discrimination of near-native protein structures from misfolded models by empirical free energy functions Proteins 2000, 41:518-34. 10.1002/ 1097-0134(20001201)41:4<518::AID-PROT90>3.0.CO;2-6 11056039
-
(2000)
Proteins
, vol.41
, pp. 518-534
-
-
Gatchell, D.W.1
Dennis, S.2
Vajda, S.3
-
11
-
-
0035231317
-
Physicochemical evaluation of protein folds predicted by threading
-
10.1007/s002490000111 11372527
-
Kinjo AR Kidera A Nakamura H Nishikawa K Physicochemical evaluation of protein folds predicted by threading Eur Biophys J 2001, 30:1-10. 10.1007/s002490000111 11372527
-
(2001)
Eur Biophys J
, vol.30
, pp. 1-10
-
-
Kinjo, A.R.1
Kidera, A.2
Nakamura, H.3
Nishikawa, K.4
-
12
-
-
0037079585
-
Identifying native-like protein structures using physics-based potentials
-
10.1002/jcc.10018 11913380
-
Dominy BN Brooks CL III Identifying native-like protein structures using physics-based potentials J Comput Chem 2002, 23:147-60. 10.1002/ jcc.10018 11913380
-
(2002)
J Comput Chem
, vol.23
, pp. 147-160
-
-
Dominy, B.N.1
Brooks III, C.L.2
-
13
-
-
0036681394
-
Distinguishing native conformations of proteins from decoys with an effective free energy estimator based on the OPLS all-atom force field and the Surface Generalized Born solvent model
-
10.1002/prot.10171 12112706
-
Felts AK Gallicchio E Wallqvist A Levy RM Distinguishing native conformations of proteins from decoys with an effective free energy estimator based on the OPLS all-atom force field and the Surface Generalized Born solvent model Proteins 2002, 48:404-22. 10.1002/ prot.10171 12112706
-
(2002)
Proteins
, vol.48
, pp. 404-422
-
-
Felts, A.K.1
Gallicchio, E.2
Wallqvist, A.3
Levy, R.M.4
-
14
-
-
0035914481
-
Molecular dynamics in the endgame of protein structure prediction
-
10.1006/jmbi.2001.5032 11800566
-
Lee MR Tsai J Baker D Kollman PA Molecular dynamics in the endgame of protein structure prediction J Mol Biol 2001, 313:417-30. 10.1006/ jmbi.2001.5032 11800566
-
(2001)
J Mol Biol
, vol.313
, pp. 417-430
-
-
Lee, M.R.1
Tsai, J.2
Baker, D.3
Kollman, P.A.4
-
15
-
-
0347994106
-
Refinement of homology-based protein structures by molecular dynamics simulation techniques
-
10.1110/ps.03381404 14691236
-
Fan H Mark AE Refinement of homology-based protein structures by molecular dynamics simulation techniques Protein Sci 2004, 13:211-20. 10.1110/ps.03381404 14691236
-
(2004)
Protein Sci
, vol.13
, pp. 211-220
-
-
Fan, H.1
Mark, A.E.2
-
16
-
-
34248549547
-
Can molecular dynamics simulations provide high-resolution refinement of protein structure?
-
10.1002/prot.21345 17373704
-
Chen J Brooks CL 3rd Can molecular dynamics simulations provide high-resolution refinement of protein structure? Proteins 2007, 67(4):922-930. 10.1002/prot.21345 17373704
-
(2007)
Proteins
, vol.67
, Issue.4
, pp. 922-930
-
-
Chen, J.1
Brooks III, C.L.2
-
17
-
-
18744411506
-
FROST: A filter-based fold recognition method
-
10.1002/prot.10231 12402359
-
Marin A Pothier J Zimmermann K Gibrat JF FROST: A filter-based fold recognition method Proteins 2002, 49:493-509. 10.1002/prot.10231 12402359
-
(2002)
Proteins
, vol.49
, pp. 493-509
-
-
Marin, A.1
Pothier, J.2
Zimmermann, K.3
Gibrat, J.F.4
-
19
-
-
0036145846
-
Statistical potentials for fold assessment
-
10.1110/ps.25502 11790853
-
Melo F Sanchez R Sali A Statistical potentials for fold assessment Protein Sci 2002, 11:430-48. 10.1110/ps.25502 11790853
-
(2002)
Protein Sci
, vol.11
, pp. 430-448
-
-
Melo, F.1
Sanchez, R.2
Sali, A.3
-
20
-
-
0034500645
-
Similarities between principal components of protein dynamics and random diffusion
-
10.1103/PhysRevE.62.8438
-
Hess B Similarities between principal components of protein dynamics and random diffusion Phys Rev E 2000, 62:8438-48. 10.1103/PhysRevE.62.8438
-
(2000)
Phys Rev E
, vol.62
, pp. 8438-8448
-
-
Hess, B.1
-
21
-
-
41349089279
-
Convergence of sampling in protein simulations
-
10.1103/PhysRevE.65.031910
-
Hess B Convergence of sampling in protein simulations Phys Rev E 2002, 65:031910,1-031910,10. 10.1103/PhysRevE.65.031910
-
(2002)
Phys Rev E
, vol.65
-
-
Hess, B.1
-
22
-
-
0020997912
-
Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical features
-
10.1002/bip.360221211 6667333
-
Kabsch W Sander C Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical features Biopolymers 1983, 22(12):2577-637. 10.1002/bip.360221211 6667333
-
(1983)
Biopolymers
, vol.22
, Issue.12
, pp. 2577-2637
-
-
Kabsch, W.1
Sander, C.2
-
23
-
-
0034308141
-
Unfolding of hen egg lysozyme by molecular dynamics simulations at 300 K: Insight into the role of the interdomain interface
-
10.1002/1097-0134(20001001)41:1<58::AID-PROT90>3.0.CO;2-3 10944394
-
Gilquin B Guilbert C Perahia D Unfolding of hen egg lysozyme by molecular dynamics simulations at 300 K: Insight into the role of the interdomain interface Proteins 2000, 41:58-74. 10.1002/ 1097-0134(20001001)41:1<58::AID-PROT90>3.0.CO;2-3 10944394
-
(2000)
Proteins
, vol.41
, pp. 58-74
-
-
Gilquin, B.1
Guilbert, C.2
Perahia, D.3
-
24
-
-
24944493938
-
Toward high-resolution de novo structure prediction for small proteins
-
10.1126/science.1113801 16166519
-
Bradley P Misura KM Baker D Toward high-resolution de novo structure prediction for small proteins Science 2005, 309:1868-71. 10.1126/ science.1113801 16166519
-
(2005)
Science
, vol.309
, pp. 1868-1871
-
-
Bradley, P.1
Misura, K.M.2
Baker, D.3
-
25
-
-
34547620863
-
Towards the high-resolution protein structure prediction. Fast refinement of reduced models with all-atom force field
-
1933428 17603876 10.1186/1472-6807-7-43
-
Kmiecik S Gront D Kolinski A Towards the high-resolution protein structure prediction. Fast refinement of reduced models with all-atom force field BMC Struct Biol 2007, 7:43. 1933428 17603876 10.1186/ 1472-6807-7-43
-
(2007)
BMC Struct Biol
, vol.7
, pp. 43
-
-
Kmiecik, S.1
Gront, D.2
Kolinski, A.3
-
26
-
-
0033828425
-
Combining MONSSTER and LES/PME to predict protein structure from amino acid sequence: Application to the small protein CMTI-1
-
10.1021/ja993119k
-
Simmerling C Lee MR Ortiz AR Kolinski A Skolnick J Kollman PA Combining MONSSTER and LES/PME to predict protein structure from amino acid sequence: Application to the small protein CMTI-1 J Am Chem Soc 2000, 122:8392-8402. 10.1021/ja993119k
-
(2000)
J Am Chem Soc
, vol.122
, pp. 8392-8402
-
-
Simmerling, C.1
Lee, M.R.2
Ortiz, A.R.3
Kolinski, A.4
Skolnick, J.5
Kollman, P.A.6
-
27
-
-
33746809569
-
AGMIAL: Implementing an annotation strategy for prokaryote genomes as a distributed system
-
1524909 16855290 10.1093/nar/gkl471
-
Bryson K Loux V Bossy R Nicolas P Chaillou S van de Guchte M Penaud S Maguin E Hoebeke M Bessieres P Gibrat JF AGMIAL: Implementing an annotation strategy for prokaryote genomes as a distributed system Nucleic Acids Res 2006, 34:3533-45. 1524909 16855290 10.1093/nar/gkl471
-
(2006)
Nucleic Acids Res
, vol.34
, pp. 3533-3545
-
-
Bryson, K.1
Loux, V.2
Bossy, R.3
Nicolas, P.4
Chaillou, S.5
van de Guchte, M.6
Penaud, S.7
Maguin, E.8
Hoebeke, M.9
Bessieres, P.10
Gibrat, J.F.11
-
29
-
-
0028838717
-
Threading a database of protein cores
-
10.1002/prot.340230309 8710828
-
Madej T Gibrat JF Bryant SH Threading a database of protein cores Proteins 1995, 23:356-69. 10.1002/prot.340230309 8710828
-
(1995)
Proteins
, vol.23
, pp. 356-369
-
-
Madej, T.1
Gibrat, J.F.2
Bryant, S.H.3
-
30
-
-
0029936121
-
Surprising similarities in structure comparison
-
10.1016/S0959-440X(96)80058-3 8804824
-
Gibrat JF Madej T Bryant SH Surprising similarities in structure comparison Curr Opin Struct Biol 1996, 6:377-85. 10.1016/ S0959-440X(96)80058-3 8804824
-
(1996)
Curr Opin Struct Biol
, vol.6
, pp. 377-385
-
-
Gibrat, J.F.1
Madej, T.2
Bryant, S.H.3
-
31
-
-
10344232638
-
Scoring function for automated assessment of protein structure template quality
-
10.1002/prot.20264 15476259
-
Zhang Y Skolnick J Scoring function for automated assessment of protein structure template quality Proteins 2004, 57:702-10. 10.1002/prot.20264 15476259
-
(2004)
Proteins
, vol.57
, pp. 702-710
-
-
Zhang, Y.1
Skolnick, J.2
-
32
-
-
0027136282
-
Comparative protein modelling by satisfaction of spatial restraints
-
10.1006/jmbi.1993.1626 8254673
-
Sali A Blundell TL Comparative protein modelling by satisfaction of spatial restraints J Mol Biol 1993, 234:779-815. 10.1006/jmbi.1993.1626 8254673
-
(1993)
J Mol Biol
, vol.234
, pp. 779-815
-
-
Sali, A.1
Blundell, T.L.2
-
33
-
-
27344454932
-
GROMACS: Fast, flexible, and free
-
10.1002/jcc.20291 16211538
-
Van Der Spoel D Lindahl E Hess B Groenhof G Mark AE Berendsen HJ GROMACS: Fast, flexible, and free J Comput Chem 2005, 26:1701-18. 10.1002/jcc.20291 16211538
-
(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
-
34
-
-
0031910020
-
Locally accessible conformations of proteins: Multiple molecular dynamics simulations of crambin
-
2143962 9541397
-
Caves L Evanseck J Karplus M Locally accessible conformations of proteins: Multiple molecular dynamics simulations of crambin Protein Sci 1998, 7:649-66. 2143962 9541397
-
(1998)
Protein Sci
, vol.7
, pp. 649-666
-
-
Caves, L.1
Evanseck, J.2
Karplus, M.3
-
36
-
-
0030767485
-
VERIFY3D: Assessment of protein models with three-dimensional profiles
-
9379925
-
Eisenberg D Luthy R Bowie JU VERIFY3D: Assessment of protein models with three-dimensional profiles Methods Enzymol 1997, 277:396-404. 9379925
-
(1997)
Methods Enzymol
, vol.277
, pp. 396-404
-
-
Eisenberg, D.1
Luthy, R.2
Bowie, J.U.3
-
37
-
-
0029878720
-
VMD - Visual Molecular Dynamics
-
10.1016/0263-7855(96)00018-5
-
Humphrey W Dalke A Schulten K VMD - Visual Molecular Dynamics J Molec Graphics 1996, 14:33-38. 10.1016/0263-7855(96)00018-5
-
(1996)
J Molec Graphics
, vol.14
, pp. 33-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
|