메뉴 건너뛰기




Volumn 82, Issue 11, 2014, Pages 3177-3187

Backbone dependency further improves side chain prediction efficiency in the Energy-based Conformer Library (bEBL)

Author keywords

Conformer; Protein prediction; Rotamer; Side chain library; Side chain optimization

Indexed keywords

ARTICLE; CONFORMATION; CRYSTAL STRUCTURE; ENERGY BASED CONFORMER LIBRARY; MOLECULAR MODEL; PEPTIDE LIBRARY; PREDICTION; PRIORITY JOURNAL; PROTEIN ANALYSIS; PROTEIN INTERACTION; PROTEIN LOCALIZATION; PROTEIN STRUCTURE; X RAY CRYSTALLOGRAPHY; ALGORITHM; BIOLOGY; CHEMICAL STRUCTURE; CHEMISTRY; PROCEDURES; PROTEIN CONFORMATION; PROTEIN DATABASE;

EID: 84937547808     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.24685     Document Type: Article
Times cited : (11)

References (40)
  • 1
    • 0036283048 scopus 로고    scopus 로고
    • Evolution and physics in comparative protein structure modeling
    • Fiser A, Feig M, Brooks CL3rd, Sali A. Evolution and physics in comparative protein structure modeling. Acc Chem Res 2002;35:413-421.
    • (2002) Acc Chem Res , vol.35 , pp. 413-421
    • Fiser, A.1    Feig, M.2    Brooks, C.L.3    Sali, A.4
  • 2
    • 33645523756 scopus 로고    scopus 로고
    • A comparative study of available software for high-accuracy homology modeling: from sequence alignments to structural models
    • Nayeem A, Sitkoff D, Krystek S. A comparative study of available software for high-accuracy homology modeling: from sequence alignments to structural models. Prot Sci 2006;15:808-824.
    • (2006) Prot Sci , vol.15 , pp. 808-824
    • Nayeem, A.1    Sitkoff, D.2    Krystek, S.3
  • 3
    • 17744387920 scopus 로고    scopus 로고
    • All are not equal: a benchmark of different homology modeling programs
    • Wallner B, Elofsson A. All are not equal: a benchmark of different homology modeling programs. Prot Sci 2005;14:1315-1327.
    • (2005) Prot Sci , vol.14 , pp. 1315-1327
    • Wallner, B.1    Elofsson, A.2
  • 5
    • 56349095598 scopus 로고    scopus 로고
    • SCWRL and MolIDE: computer programs for side-chain conformation prediction and homology modeling
    • Wang Q, Canutescu AA, Dunbrack RL. SCWRL and MolIDE: computer programs for side-chain conformation prediction and homology modeling. Nat Protoc 2008;3:1832-1847.
    • (2008) Nat Protoc , vol.3 , pp. 1832-1847
    • Wang, Q.1    Canutescu, A.A.2    Dunbrack, R.L.3
  • 6
    • 3242887695 scopus 로고    scopus 로고
    • Protein structure prediction and analysis using the Robetta server
    • Kim DE, Chivian D, Baker D. Protein structure prediction and analysis using the Robetta server. Nucleic Acids Res 2004;32(suppl 2):W526-W531.
    • (2004) Nucleic Acids Res , vol.32 , Issue.SUPPL 2 , pp. W526-W531
    • Kim, D.E.1    Chivian, D.2    Baker, D.3
  • 7
    • 84896269533 scopus 로고    scopus 로고
    • A frequent, GxxxG-mediated, transmembrane association motif is optimized for the formation of interhelical Cα-H hydrogen bonds
    • Mueller BK, Subramaniam S, Senes A. A frequent, GxxxG-mediated, transmembrane association motif is optimized for the formation of interhelical Cα-H hydrogen bonds. Proc Natl Acad Sci USA 2014;111:E888-E895.
    • (2014) Proc Natl Acad Sci USA , vol.111 , pp. E888-E895
    • Mueller, B.K.1    Subramaniam, S.2    Senes, A.3
  • 8
    • 0030987610 scopus 로고    scopus 로고
    • Probing the role of packing specificity in protein design
    • Dahiyat BI, Mayo SL. Probing the role of packing specificity in protein design. Proc Natl Acad Sci 1997;94:10172-10177.
    • (1997) Proc Natl Acad Sci , vol.94 , pp. 10172-10177
    • Dahiyat, B.I.1    Mayo, S.L.2
  • 9
    • 0033135227 scopus 로고    scopus 로고
    • Computational protein design
    • Street AG, Mayo SL. Computational protein design. Structure 1999;7:R105-R109.
    • (1999) Structure , vol.7 , pp. R105-R109
    • Street, A.G.1    Mayo, S.L.2
  • 10
    • 80052103199 scopus 로고    scopus 로고
    • Computational design of membrane proteins
    • Senes A. Computational design of membrane proteins. Curr Opin Struct Biol 2011;21:460-466.
    • (2011) Curr Opin Struct Biol , vol.21 , pp. 460-466
    • Senes, A.1
  • 12
    • 0031717170 scopus 로고    scopus 로고
    • Predicting structural effects in HIV-1 protease mutant complexes with flexible ligand docking and protein side-chain optimization
    • Schaffer L, Verkhivker GM. Predicting structural effects in HIV-1 protease mutant complexes with flexible ligand docking and protein side-chain optimization. Proteins Struct Funct Bioinforma 1998;33:295-310.
    • (1998) Proteins Struct Funct Bioinforma , vol.33 , pp. 295-310
    • Schaffer, L.1    Verkhivker, G.M.2
  • 14
    • 17744364070 scopus 로고    scopus 로고
    • Improved side-chain modeling for protein-protein docking
    • Wang C, Schueler-Furman O, Baker D. Improved side-chain modeling for protein-protein docking. Protein Sci 2005;14:1328-1339.
    • (2005) Protein Sci , vol.14 , pp. 1328-1339
    • Wang, C.1    Schueler-Furman, O.2    Baker, D.3
  • 15
    • 36049029967 scopus 로고    scopus 로고
    • High-resolution structure prediction and the crystallographic phase problem
    • Qian B. High-resolution structure prediction and the crystallographic phase problem. Nature 2007;450:259-264.
    • (2007) Nature , vol.450 , pp. 259-264
    • Qian, B.1
  • 19
    • 0036667733 scopus 로고    scopus 로고
    • Knowledge-based potential functions in protein design
    • Russ WP, Ranganathan R. Knowledge-based potential functions in protein design. Curr Opin Struct Biol 2002;12:447-452.
    • (2002) Curr Opin Struct Biol , vol.12 , pp. 447-452
    • Russ, W.P.1    Ranganathan, R.2
  • 20
    • 0026589733 scopus 로고
    • The dead-end elimination theorem and its use in protein side-chain positioning
    • Desmet J, Maeyer MD, Hazes B, Lasters I. The dead-end elimination theorem and its use in protein side-chain positioning. Nature 1992;356:539-542.
    • (1992) Nature , vol.356 , pp. 539-542
    • Desmet, J.1    Maeyer, M.D.2    Hazes, B.3    Lasters, I.4
  • 21
    • 0033200183 scopus 로고
    • Branch-and-terminate: a combinatorial optimization algorithm for protein design
    • 1999;:-.
    • Gordon DB, Mayo SL. Branch-and-terminate: a combinatorial optimization algorithm for protein design. Struct Lond Engl 1993 1999;7:1089-1098.
    • (1993) Struct Lond Engl , vol.7 , pp. 1089-1098
    • Gordon, D.B.1    Mayo, S.L.2
  • 23
    • 0028343413 scopus 로고
    • Application of a self-consistent mean field theory to predict protein side-chains conformation and estimate their conformational entropy
    • Koehl P, Delarue M. Application of a self-consistent mean field theory to predict protein side-chains conformation and estimate their conformational entropy. J Mol Biol 1994;239:249-275.
    • (1994) J Mol Biol , vol.239 , pp. 249-275
    • Koehl, P.1    Delarue, M.2
  • 24
    • 0032612579 scopus 로고    scopus 로고
    • Ab initio protein structure prediction of CASP III targets using ROSETTA
    • Simons KT, Bonneau R, Ruczinski I, Baker D. Ab initio protein structure prediction of CASP III targets using ROSETTA. Proteins 1999;Suppl 3:171-176.
    • (1999) Proteins , Issue.SUPPL 3 , pp. 171-176
    • Simons, K.T.1    Bonneau, R.2    Ruczinski, I.3    Baker, D.4
  • 25
    • 0035838974 scopus 로고    scopus 로고
    • Extending the accuracy limits of prediction for side-chain conformations
    • Xiang Z, Honig B. Extending the accuracy limits of prediction for side-chain conformations. J Mol Biol 2001;311:421-430.
    • (2001) J Mol Biol , vol.311 , pp. 421-430
    • Xiang, Z.1    Honig, B.2
  • 26
    • 1842326139 scopus 로고    scopus 로고
    • Bayesian statistical analysis of protein side-chain rotamer preferences
    • Dunbrack RL, Cohen FE. Bayesian statistical analysis of protein side-chain rotamer preferences. Protein Sci Publ Protein Soc 1997;6:1661-1681.
    • (1997) Protein Sci Publ Protein Soc , vol.6 , pp. 1661-1681
    • Dunbrack, R.L.1    Cohen, F.E.2
  • 28
    • 79958079887 scopus 로고
    • A smoothed backbone-dependent rotamer library for proteins derived from adaptive kernel density estimates and regressions
    • 2011;:-.
    • Shapovalov MV, Dunbrack RL Jr. A smoothed backbone-dependent rotamer library for proteins derived from adaptive kernel density estimates and regressions. Struct Lond Engl 1993 2011;19:844-858.
    • (1993) Struct Lond Engl , vol.19 , pp. 844-858
    • Shapovalov, M.V.1    Dunbrack Jr, R.L.2
  • 30
    • 84864400705 scopus 로고    scopus 로고
    • An energy-based conformer library for side chain optimization: improved prediction and adjustable sampling
    • Subramaniam S, Senes A. An energy-based conformer library for side chain optimization: improved prediction and adjustable sampling. Proteins 2012;80:2218-2234.
    • (2012) Proteins , vol.80 , pp. 2218-2234
    • Subramaniam, S.1    Senes, A.2
  • 31
    • 33750963095 scopus 로고    scopus 로고
    • Combinatorial methods for small-molecule placement in computational enzyme design
    • Lassila JK, Privett HK, Allen BD, Mayo SL. Combinatorial methods for small-molecule placement in computational enzyme design. Proc Natl Acad Sci USA 2006;103:16710-16715.
    • (2006) Proc Natl Acad Sci USA , vol.103 , pp. 16710-16715
    • Lassila, J.K.1    Privett, H.K.2    Allen, B.D.3    Mayo, S.L.4
  • 32
    • 1342310514 scopus 로고    scopus 로고
    • Improved side-chain prediction accuracy using an ab initio potential energy function and a very large rotamer library
    • Peterson RW, Dutton PL, Wand AJ. Improved side-chain prediction accuracy using an ab initio potential energy function and a very large rotamer library. Protein Sci 2004;13:735-751.
    • (2004) Protein Sci , vol.13 , pp. 735-751
    • Peterson, R.W.1    Dutton, P.L.2    Wand, A.J.3
  • 33
    • 0032732306 scopus 로고    scopus 로고
    • Improved modeling of side-chains in proteins with rotamer-based methods: a flexible rotamer model
    • Mendes J, Baptista AM, Carrondo MA, Soares CM. Improved modeling of side-chains in proteins with rotamer-based methods: a flexible rotamer model. Proteins 1999;37:530-543.
    • (1999) Proteins , vol.37 , pp. 530-543
    • Mendes, J.1    Baptista, A.M.2    Carrondo, M.A.3    Soares, C.M.4
  • 34
    • 0034994293 scopus 로고    scopus 로고
    • The interrelationships of side-chain and main-chain conformations in proteins
    • Chakrabarti P, Pal D. The interrelationships of side-chain and main-chain conformations in proteins. Prog Biophys Mol Biol 2001;76:1-102.
    • (2001) Prog Biophys Mol Biol , vol.76 , pp. 1-102
    • Chakrabarti, P.1    Pal, D.2
  • 35
    • 0036667731 scopus 로고    scopus 로고
    • Rotamer libraries in the 21st century
    • Dunbrack RL Jr. Rotamer libraries in the 21st century. Curr Opin Struct Biol 2002;12:431-440.
    • (2002) Curr Opin Struct Biol , vol.12 , pp. 431-440
    • Dunbrack Jr, R.L.1
  • 36
    • 0027160197 scopus 로고
    • Backbone-dependent rotamer library for proteins. Application to side-chain prediction
    • Dunbrack RL Jr, Karplus M. Backbone-dependent rotamer library for proteins. Application to side-chain prediction. J Mol Biol 1993;230:543-574.
    • (1993) J Mol Biol , vol.230 , pp. 543-574
    • Dunbrack Jr, R.L.1    Karplus, M.2
  • 37
    • 0028429178 scopus 로고
    • Conformational analysis of the backbone-dependent rotamer preferences of protein sidechains
    • Dunbrack RL, Karplus M. Conformational analysis of the backbone-dependent rotamer preferences of protein sidechains. Nat Struct Mol Biol 1994;1:334-340.
    • (1994) Nat Struct Mol Biol , vol.1 , pp. 334-340
    • Dunbrack, R.L.1    Karplus, M.2
  • 39
    • 0033614004 scopus 로고    scopus 로고
    • Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation
    • Word JM, Lovell SC, Richardson JS, Richardson DC. Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation. J Mol Biol 1999;285:1735-1747.
    • (1999) J Mol Biol , vol.285 , pp. 1735-1747
    • Word, J.M.1    Lovell, S.C.2    Richardson, J.S.3    Richardson, D.C.4
  • 40
    • 70450106216 scopus 로고    scopus 로고
    • 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


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.