-
1
-
-
0038752617
-
Computational design of receptor and sensor proteins with novel functions
-
Looger L.L., Dwyer M.A., Smith J.J., Hellinga H.W. Computational design of receptor and sensor proteins with novel functions. Nature 2003, 423:185-190.
-
(2003)
Nature
, vol.423
, pp. 185-190
-
-
Looger, L.L.1
Dwyer, M.A.2
Smith, J.J.3
Hellinga, H.W.4
-
2
-
-
1042298843
-
Computational design of protein-protein interactions
-
Kortemme T., Baker D. Computational design of protein-protein interactions. Curr Opin Chem Biol 2004, 8:91-97.
-
(2004)
Curr Opin Chem Biol
, vol.8
, pp. 91-97
-
-
Kortemme, T.1
Baker, D.2
-
3
-
-
33745278855
-
Computational redesign of endonuclease DNA binding and cleavage specificity
-
Ashworth J., Havranek J.J., Duarte C.M., Sussman D., Monnat R.J., Stoddard B.L., Baker D. Computational redesign of endonuclease DNA binding and cleavage specificity. Nature 2006, 441:656-659.
-
(2006)
Nature
, vol.441
, pp. 656-659
-
-
Ashworth, J.1
Havranek, J.J.2
Duarte, C.M.3
Sussman, D.4
Monnat, R.J.5
Stoddard, B.L.6
Baker, D.7
-
4
-
-
0030793767
-
De novo protein design: fully automated sequence selection
-
Dahiyat B.I., Mayo S.L. De novo protein design: fully automated sequence selection. Science 1997, 278:82-87.
-
(1997)
Science
, vol.278
, pp. 82-87
-
-
Dahiyat, B.I.1
Mayo, S.L.2
-
5
-
-
0345306764
-
Design of a novel globular protein fold with atomic-level accuracy
-
Kuhlman B., Dantas G., Ireton G.C., Varani G., Stoddard B.L., Baker D. Design of a novel globular protein fold with atomic-level accuracy. Science 2003, 302:1364-1368.
-
(2003)
Science
, vol.302
, pp. 1364-1368
-
-
Kuhlman, B.1
Dantas, G.2
Ireton, G.C.3
Varani, G.4
Stoddard, B.L.5
Baker, D.6
-
6
-
-
40449116114
-
De novo computational design of retro-aldol enzymes
-
Jiang L., Althoff E.A., Clemente F.R., Doyle L., Rothlisberger D., Zanghellini A., Gallaher J.L., Betker J.L., Tanaka F., Barbas C.F., et al. De novo computational design of retro-aldol enzymes. Science 2008, 319:1387-1391.
-
(2008)
Science
, vol.319
, pp. 1387-1391
-
-
Jiang, L.1
Althoff, E.A.2
Clemente, F.R.3
Doyle, L.4
Rothlisberger, D.5
Zanghellini, A.6
Gallaher, J.L.7
Betker, J.L.8
Tanaka, F.9
Barbas, C.F.10
-
7
-
-
43449098518
-
Kemp elimination catalysts by computational enzyme design
-
Rothlisberger D., Khersonsky O., Wollacott A.M., Jiang L., DeChancie J., Betker J., Gallaher J.L., Althoff E.A., Zanghellini A., Dym O., et al. Kemp elimination catalysts by computational enzyme design. Nature 2008, 453:190-195.
-
(2008)
Nature
, vol.453
, pp. 190-195
-
-
Rothlisberger, D.1
Khersonsky, O.2
Wollacott, A.M.3
Jiang, L.4
DeChancie, J.5
Betker, J.6
Gallaher, J.L.7
Althoff, E.A.8
Zanghellini, A.9
Dym, O.10
-
8
-
-
70349241497
-
Sampling bottlenecks in de novo protein structure prediction
-
Kim D.E., Blum B., Bradley P., Baker D. Sampling bottlenecks in de novo protein structure prediction. J Mol Biol 2009, 393:249-260.
-
(2009)
J Mol Biol
, vol.393
, pp. 249-260
-
-
Kim, D.E.1
Blum, B.2
Bradley, P.3
Baker, D.4
-
9
-
-
68949144570
-
Enhanced bounding techniques to reduce the protein conformational search space
-
McAllister S.R., Floudas C.A. Enhanced bounding techniques to reduce the protein conformational search space. Optim Methods Softw 2009, 24:837-855.
-
(2009)
Optim Methods Softw
, vol.24
, pp. 837-855
-
-
McAllister, S.R.1
Floudas, C.A.2
-
10
-
-
79952117766
-
Identifying and reducing error in cluster-expansion approximations of protein energies
-
Hahn S., Ashenberg O., Grigoryan G., Keating A.E. Identifying and reducing error in cluster-expansion approximations of protein energies. J Comput Chem 2010, 31:2900-2914.
-
(2010)
J Comput Chem
, vol.31
, pp. 2900-2914
-
-
Hahn, S.1
Ashenberg, O.2
Grigoryan, G.3
Keating, A.E.4
-
11
-
-
70349758444
-
Conformation dependence of backbone geometry in proteins
-
Berkholz D.S., Shapovalov M.V., Dunbrack R.L., Karplus P.A. Conformation dependence of backbone geometry in proteins. Structure 2009, 17:1316-1325.
-
(2009)
Structure
, vol.17
, pp. 1316-1325
-
-
Berkholz, D.S.1
Shapovalov, M.V.2
Dunbrack, R.L.3
Karplus, P.A.4
-
12
-
-
66349133914
-
Motif-directed flexible backbone design of functional interactions
-
Havranek J.J., Baker D. Motif-directed flexible backbone design of functional interactions. Protein Sci 2009, 18:1293-1305.
-
(2009)
Protein Sci
, vol.18
, pp. 1293-1305
-
-
Havranek, J.J.1
Baker, D.2
-
13
-
-
70450106216
-
Improved prediction of protein side-chain conformations with SCWRL4
-
Krivov G.G., Shapovalov M.V., Dunbrack R.L. 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, R.L.3
-
14
-
-
77952837884
-
Development of a rotamer library for use in beta-peptide foldamer computational design
-
Shandler S.J., Shapovalov M.V., Dunbrack R.L., DeGrado W.F. Development of a rotamer library for use in beta-peptide foldamer computational design. J Am Chem Soc 2010, 132:7312-7320.
-
(2010)
J Am Chem Soc
, vol.132
, pp. 7312-7320
-
-
Shandler, S.J.1
Shapovalov, M.V.2
Dunbrack, R.L.3
DeGrado, W.F.4
-
15
-
-
77951224747
-
Feature space resampling for protein conformational search
-
Blum B., Jordan M.I., Baker D. Feature space resampling for protein conformational search. Proteins 2010, 78:1583-1593.
-
(2010)
Proteins
, vol.78
, pp. 1583-1593
-
-
Blum, B.1
Jordan, M.I.2
Baker, D.3
-
16
-
-
76849087968
-
PONDR-FIT: a meta-predictor of intrinsically disordered amino acids
-
Xue B., Dunbrack R.L., Williams R.W., Dunker A.K., Uversky V.N. PONDR-FIT: a meta-predictor of intrinsically disordered amino acids. Biochim Biophys Acta 2010, 1804:996-1010.
-
(2010)
Biochim Biophys Acta
, vol.1804
, pp. 996-1010
-
-
Xue, B.1
Dunbrack, R.L.2
Williams, R.W.3
Dunker, A.K.4
Uversky, V.N.5
-
17
-
-
78650566901
-
Experimental library screening demonstrates the successful application of computational protein design to large structural ensembles
-
Allen B.D., Nisthal A., Mayo S.L. Experimental library screening demonstrates the successful application of computational protein design to large structural ensembles. Proc Natl Acad Sci U S A 2010, 107:19838-19843.
-
(2010)
Proc Natl Acad Sci U S A
, vol.107
, pp. 19838-19843
-
-
Allen, B.D.1
Nisthal, A.2
Mayo, S.L.3
-
18
-
-
77950519334
-
An improved hybrid global optimization method for protein tertiary structure prediction
-
McAllister S.R., Floudas C.A. An improved hybrid global optimization method for protein tertiary structure prediction. Comput Optim Appl 2009, 45:377-413.
-
(2009)
Comput Optim Appl
, vol.45
, pp. 377-413
-
-
McAllister, S.R.1
Floudas, C.A.2
-
19
-
-
77952849163
-
An efficient algorithm for multistate protein design based on FASTER
-
Allen B.D., Mayo S.L. An efficient algorithm for multistate protein design based on FASTER. J Comput Chem 2009, 31:904-916.
-
(2009)
J Comput Chem
, vol.31
, pp. 904-916
-
-
Allen, B.D.1
Mayo, S.L.2
-
20
-
-
70350037671
-
Selecting high quality protein structures from diverse conformational ensembles
-
Subramani A., DiMaggio P.A., Floudas C.A. Selecting high quality protein structures from diverse conformational ensembles. Biophys J 2009, 97:1728-1736.
-
(2009)
Biophys J
, vol.97
, pp. 1728-1736
-
-
Subramani, A.1
DiMaggio, P.A.2
Floudas, C.A.3
-
21
-
-
77956317558
-
Computational design of epitope-scaffolds allows induction of antibodies specific for a poorly immunogenic HIV vaccine epitope
-
Correia B.E., Ban Y.E., Holmes M.A., Xu H., Ellingson K., Kraft Z., Carrico C., Boni E., Sather D.N., Zenobia C., et al. Computational design of epitope-scaffolds allows induction of antibodies specific for a poorly immunogenic HIV vaccine epitope. Structure 2010, 18:1116-1126.
-
(2010)
Structure
, vol.18
, pp. 1116-1126
-
-
Correia, B.E.1
Ban, Y.E.2
Holmes, M.A.3
Xu, H.4
Ellingson, K.5
Kraft, Z.6
Carrico, C.7
Boni, E.8
Sather, D.N.9
Zenobia, C.10
-
22
-
-
63649083644
-
Rationally designed integrin beta3 mutants stabilized in the high affinity conformation
-
Luo B.H., Karanicolas J., Harmacek L.D., Baker D., Springer T.A. Rationally designed integrin beta3 mutants stabilized in the high affinity conformation. J Biol Chem 2009, 284:3917-3924.
-
(2009)
J Biol Chem
, vol.284
, pp. 3917-3924
-
-
Luo, B.H.1
Karanicolas, J.2
Harmacek, L.D.3
Baker, D.4
Springer, T.A.5
-
23
-
-
73149111493
-
Simultaneous prediction of protein folding and docking at high resolution
-
Das R., Andre I., Shen Y., Wu Y., Lemak A., Bansal S., Arrowsmith C.H., Szyperski T., Baker D. Simultaneous prediction of protein folding and docking at high resolution. Proc Natl Acad Sci U S A 2009, 106:18978-18983.
-
(2009)
Proc Natl Acad Sci U S A
, vol.106
, pp. 18978-18983
-
-
Das, R.1
Andre, I.2
Shen, Y.3
Wu, Y.4
Lemak, A.5
Bansal, S.6
Arrowsmith, C.H.7
Szyperski, T.8
Baker, D.9
-
24
-
-
70149109136
-
Computation of conformational coupling in allosteric proteins
-
Kidd B.A., Baker D., Thomas W.E. Computation of conformational coupling in allosteric proteins. PLoS Comput Biol 2009, 5:e1000484.
-
(2009)
PLoS Comput Biol
, vol.5
-
-
Kidd, B.A.1
Baker, D.2
Thomas, W.E.3
-
25
-
-
76849098696
-
Computational design-based molecular engineering of the glycosyl hydrolase family 11 B. subtilis XynA endoxylanase improves its acid stability
-
Belien T., Joye I.J., Delcour J.A., Courtin C.M. Computational design-based molecular engineering of the glycosyl hydrolase family 11 B. subtilis XynA endoxylanase improves its acid stability. Protein Eng Des Sel 2009, 22:587-596.
-
(2009)
Protein Eng Des Sel
, vol.22
, pp. 587-596
-
-
Belien, T.1
Joye, I.J.2
Delcour, J.A.3
Courtin, C.M.4
-
26
-
-
77958179580
-
Efficient screening of fungal cellobiohydrolase class I enzymes for thermostabilizing sequence blocks by SCHEMA structure-guided recombination
-
Heinzelman P., Komor R., Kanaan A., Romero P., Yu X., Mohler S., Snow C., Arnold F. Efficient screening of fungal cellobiohydrolase class I enzymes for thermostabilizing sequence blocks by SCHEMA structure-guided recombination. Protein Eng Des Sel 2010, 23:871-880.
-
(2010)
Protein Eng Des Sel
, vol.23
, pp. 871-880
-
-
Heinzelman, P.1
Komor, R.2
Kanaan, A.3
Romero, P.4
Yu, X.5
Mohler, S.6
Snow, C.7
Arnold, F.8
-
27
-
-
78449306754
-
Enhanced thermostability of methyl parathion hydrolase from Ochrobactrum sp. M231 by rational engineering of a glycine to proline mutation
-
Tian J., Wang P., Gao S., Chu X., Wu N., Fan Y. Enhanced thermostability of methyl parathion hydrolase from Ochrobactrum sp. M231 by rational engineering of a glycine to proline mutation. FEBS J 2010, 277:4901-4908.
-
(2010)
FEBS J
, vol.277
, pp. 4901-4908
-
-
Tian, J.1
Wang, P.2
Gao, S.3
Chu, X.4
Wu, N.5
Fan, Y.6
-
28
-
-
78650678219
-
Thermostabilization of Bacillus circulans xylanase: computational optimization of unstable residues based on thermal fluctuation analysis
-
Joo J.C., Pack S.P., Kim Y.H., Yoo Y.J. Thermostabilization of Bacillus circulans xylanase: computational optimization of unstable residues based on thermal fluctuation analysis. J Biotechnol 2010, 151:56-65.
-
(2010)
J Biotechnol
, vol.151
, pp. 56-65
-
-
Joo, J.C.1
Pack, S.P.2
Kim, Y.H.3
Yoo, Y.J.4
-
29
-
-
62449293337
-
Rational stabilization of enzymes by computational redesign of surface charge-charge interactions
-
Gribenko A.V., Patel M.M., Liu J., McCallum S.A., Wang C., Makhatadze G.I. Rational stabilization of enzymes by computational redesign of surface charge-charge interactions. Proc Natl Acad Sci U S A 2009, 106:2601-2606.
-
(2009)
Proc Natl Acad Sci U S A
, vol.106
, pp. 2601-2606
-
-
Gribenko, A.V.1
Patel, M.M.2
Liu, J.3
McCallum, S.A.4
Wang, C.5
Makhatadze, G.I.6
-
30
-
-
59449089478
-
Thermostable variants of cocaine esterase for long-time protection against cocaine toxicity
-
Gao D., Narasimhan D.L., Macdonald J., Brim R., Ko M.C., Landry D.W., Woods J.H., Sunahara R.K., Zhan C.G. Thermostable variants of cocaine esterase for long-time protection against cocaine toxicity. Mol Pharmacol 2009, 75:318-323.
-
(2009)
Mol Pharmacol
, vol.75
, pp. 318-323
-
-
Gao, D.1
Narasimhan, D.L.2
Macdonald, J.3
Brim, R.4
Ko, M.C.5
Landry, D.W.6
Woods, J.H.7
Sunahara, R.K.8
Zhan, C.G.9
-
31
-
-
66349094681
-
Identification of computational hot spots in protein interfaces: combining solvent accessibility and inter-residue potentials improves the accuracy
-
Tuncbag N., Gursoy A., Keskin O. Identification of computational hot spots in protein interfaces: combining solvent accessibility and inter-residue potentials improves the accuracy. Bioinformatics 2009, 25:1513-1520.
-
(2009)
Bioinformatics
, vol.25
, pp. 1513-1520
-
-
Tuncbag, N.1
Gursoy, A.2
Keskin, O.3
-
32
-
-
74549123515
-
Design, expression and characterization of mutants of fasciculin optimized for interaction with its target, acetylcholinesterase
-
Sharabi O., Peleg Y., Mashiach E., Vardy E., Ashani Y., Silman I., Sussman J.L., Shifman J.M. Design, expression and characterization of mutants of fasciculin optimized for interaction with its target, acetylcholinesterase. Protein Eng Des Sel 2009, 22:641-648.
-
(2009)
Protein Eng Des Sel
, vol.22
, pp. 641-648
-
-
Sharabi, O.1
Peleg, Y.2
Mashiach, E.3
Vardy, E.4
Ashani, Y.5
Silman, I.6
Sussman, J.L.7
Shifman, J.M.8
-
33
-
-
78650610802
-
Engineering a protein-protein interface using a computationally designed library
-
Guntas G., Purbeck C., Kuhlman B. Engineering a protein-protein interface using a computationally designed library. Proc Natl Acad Sci U S A 2010, 107:19296-19301.
-
(2010)
Proc Natl Acad Sci U S A
, vol.107
, pp. 19296-19301
-
-
Guntas, G.1
Purbeck, C.2
Kuhlman, B.3
-
34
-
-
58549091879
-
Computational design of calmodulin mutants with up to 900-fold increase in binding specificity
-
Yosef E., Politi R., Choi M.H., Shifman J.M. Computational design of calmodulin mutants with up to 900-fold increase in binding specificity. J Mol Biol 2009, 385:1470-1480.
-
(2009)
J Mol Biol
, vol.385
, pp. 1470-1480
-
-
Yosef, E.1
Politi, R.2
Choi, M.H.3
Shifman, J.M.4
-
35
-
-
77957954013
-
A mixed QM/MM scoring function to predict protein-ligand binding affinity
-
Hayik S.A., Dunbrack R., Merz K.M. A mixed QM/MM scoring function to predict protein-ligand binding affinity. J Chem Theory Comput 2010, 6:3079-3091.
-
(2010)
J Chem Theory Comput
, vol.6
, pp. 3079-3091
-
-
Hayik, S.A.1
Dunbrack, R.2
Merz, K.M.3
-
36
-
-
58149476770
-
OptGraft: a computational procedure for transferring a binding site onto an existing protein scaffold
-
Fazelinia H., Cirino P.C., Maranas C.D. OptGraft: a computational procedure for transferring a binding site onto an existing protein scaffold. Protein Sci 2009, 18:180-195.
-
(2009)
Protein Sci
, vol.18
, pp. 180-195
-
-
Fazelinia, H.1
Cirino, P.C.2
Maranas, C.D.3
-
37
-
-
77249114810
-
Prediction of structures of zinc-binding proteins through explicit modeling of metal coordination geometry
-
Wang C., Vernon R., Lange O., Tyka M., Baker D. Prediction of structures of zinc-binding proteins through explicit modeling of metal coordination geometry. Protein Sci 2010, 19:494-506.
-
(2010)
Protein Sci
, vol.19
, pp. 494-506
-
-
Wang, C.1
Vernon, R.2
Lange, O.3
Tyka, M.4
Baker, D.5
-
38
-
-
67249103597
-
Assessment of the optimization of affinity and specificity at protein-DNA interfaces
-
Ashworth J., Baker D. Assessment of the optimization of affinity and specificity at protein-DNA interfaces. Nucleic Acids Res 2009, 37:e73.
-
(2009)
Nucleic Acids Res
, vol.37
-
-
Ashworth, J.1
Baker, D.2
-
39
-
-
78549283794
-
Computational design of orthogonal nucleoside kinases
-
Liu L., Murphy P., Baker D., Lutz S. Computational design of orthogonal nucleoside kinases. Chem Commun (Camb) 2010, 46:8803-8805.
-
(2010)
Chem Commun (Camb)
, vol.46
, pp. 8803-8805
-
-
Liu, L.1
Murphy, P.2
Baker, D.3
Lutz, S.4
-
40
-
-
77950578546
-
Computational design of protein-ligand binding: modifying the specificity of asparaginyl-tRNA synthetase
-
Lopes A., Schmidt Am Busch M., Simonson T. Computational design of protein-ligand binding: modifying the specificity of asparaginyl-tRNA synthetase. J Comput Chem 2009, 31:1273-1286.
-
(2009)
J Comput Chem
, vol.31
, pp. 1273-1286
-
-
Lopes, A.1
Schmidt Am Busch, M.2
Simonson, T.3
-
41
-
-
67249107701
-
Alteration of enzyme specificity by computational loop remodeling and design
-
Murphy P.M., Bolduc J.M., Gallaher J.L., Stoddard B.L., Baker D. Alteration of enzyme specificity by computational loop remodeling and design. Proc Natl Acad Sci U S A 2009, 106:9215-9220.
-
(2009)
Proc Natl Acad Sci U S A
, vol.106
, pp. 9215-9220
-
-
Murphy, P.M.1
Bolduc, J.M.2
Gallaher, J.L.3
Stoddard, B.L.4
Baker, D.5
-
42
-
-
65549130638
-
Free-energy perturbation simulation on transition states and redesign of butyrylcholinesterase
-
Yang W., Pan Y., Zheng F., Cho H., Tai H.H., Zhan C.G. Free-energy perturbation simulation on transition states and redesign of butyrylcholinesterase. Biophys J 2009, 96:1931-1938.
-
(2009)
Biophys J
, vol.96
, pp. 1931-1938
-
-
Yang, W.1
Pan, Y.2
Zheng, F.3
Cho, H.4
Tai, H.H.5
Zhan, C.G.6
-
43
-
-
77951650117
-
Computational predictions of the mutant behavior of AraC
-
Berrondo M., Gray J.J., Schleif R. Computational predictions of the mutant behavior of AraC. J Mol Biol 2010, 398:462-470.
-
(2010)
J Mol Biol
, vol.398
, pp. 462-470
-
-
Berrondo, M.1
Gray, J.J.2
Schleif, R.3
-
44
-
-
71049127018
-
Identification of structural mechanisms of HIV-1 protease specificity using computational peptide docking: implications for drug resistance
-
Chaudhury S., Gray J.J. Identification of structural mechanisms of HIV-1 protease specificity using computational peptide docking: implications for drug resistance. Structure 2009, 17:1636-1648.
-
(2009)
Structure
, vol.17
, pp. 1636-1648
-
-
Chaudhury, S.1
Gray, J.J.2
-
45
-
-
65249171530
-
Design of protein-interaction specificity gives selective bZIP-binding peptides
-
Grigoryan G., Reinke A.W., Keating A.E. Design of protein-interaction specificity gives selective bZIP-binding peptides. Nature 2009, 458:859-864.
-
(2009)
Nature
, vol.458
, pp. 859-864
-
-
Grigoryan, G.1
Reinke, A.W.2
Keating, A.E.3
-
46
-
-
70349463121
-
Computational design of Candida boidinii xylose reductase for altered cofactor specificity
-
Khoury G.A., Fazelinia H., Chin J.W., Pantazes R.J., Cirino P.C., Maranas C.D. Computational design of Candida boidinii xylose reductase for altered cofactor specificity. Protein Sci 2009, 18:2125-2138.
-
(2009)
Protein Sci
, vol.18
, pp. 2125-2138
-
-
Khoury, G.A.1
Fazelinia, H.2
Chin, J.W.3
Pantazes, R.J.4
Cirino, P.C.5
Maranas, C.D.6
-
47
-
-
78650543850
-
Generation of longer emission wavelength red fluorescent proteins using computationally designed libraries
-
Chica R.A., Moore M.M., Allen B.D., Mayo S.L. Generation of longer emission wavelength red fluorescent proteins using computationally designed libraries. Proc Natl Acad Sci U S A 2010, 107:20257-20262.
-
(2010)
Proc Natl Acad Sci U S A
, vol.107
, pp. 20257-20262
-
-
Chica, R.A.1
Moore, M.M.2
Allen, B.D.3
Mayo, S.L.4
-
48
-
-
79952437832
-
Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution
-
Khersonsky O., Rothlisberger D., Wollacott A.M., Murphy P., Dym O., Albeck S., Kiss G., Houk K.N., Baker D., Tawfik D.S. Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution. J Mol Biol 2011.
-
(2011)
J Mol Biol
-
-
Khersonsky, O.1
Rothlisberger, D.2
Wollacott, A.M.3
Murphy, P.4
Dym, O.5
Albeck, S.6
Kiss, G.7
Houk, K.N.8
Baker, D.9
Tawfik, D.S.10
-
49
-
-
77956357583
-
Evaluation and ranking of enzyme designs
-
Kiss G., Rothlisberger D., Baker D., Houk K.N. Evaluation and ranking of enzyme designs. Protein Sci 2010, 19:1760-1773.
-
(2010)
Protein Sci
, vol.19
, pp. 1760-1773
-
-
Kiss, G.1
Rothlisberger, D.2
Baker, D.3
Houk, K.N.4
-
50
-
-
59449096415
-
Toward high-resolution homology modeling of antibody Fv regions and application to antibody-antigen docking
-
Sivasubramanian A., Sircar A., Chaudhury S., Gray J.J. Toward high-resolution homology modeling of antibody Fv regions and application to antibody-antigen docking. Proteins 2009, 74:497-514.
-
(2009)
Proteins
, vol.74
, pp. 497-514
-
-
Sivasubramanian, A.1
Sircar, A.2
Chaudhury, S.3
Gray, J.J.4
-
51
-
-
76749153896
-
SnugDock: paratope structural optimization during antibody-antigen docking compensates for errors in antibody homology models
-
Sircar A., Gray J.J. SnugDock: paratope structural optimization during antibody-antigen docking compensates for errors in antibody homology models. PLoS Comput Biol 2010, 6:e1000644.
-
(2010)
PLoS Comput Biol
, vol.6
-
-
Sircar, A.1
Gray, J.J.2
-
52
-
-
77958157337
-
OptCDR: a general computational method for the design of antibody complementarity determining regions for targeted epitope binding
-
Pantazes R.J., Maranas C.D. OptCDR: a general computational method for the design of antibody complementarity determining regions for targeted epitope binding. Protein Eng Des Sel 2010, 23:849-858.
-
(2010)
Protein Eng Des Sel
, vol.23
, pp. 849-858
-
-
Pantazes, R.J.1
Maranas, C.D.2
-
53
-
-
77956246697
-
De novo design of peptide-calcite biomineralization systems
-
Masica D.L., Schrier S.B., Specht E.A., Gray J.J. De novo design of peptide-calcite biomineralization systems. J Am Chem Soc 2010, 132:12252-12262.
-
(2010)
J Am Chem Soc
, vol.132
, pp. 12252-12262
-
-
Masica, D.L.1
Schrier, S.B.2
Specht, E.A.3
Gray, J.J.4
-
54
-
-
77949854939
-
Computational design and elaboration of a de novo heterotetrameric alpha-helical protein that selectively binds an emissive abiological (porphinato)zinc chromophore
-
Fry H.C., Lehmann A., Saven J.G., DeGrado W.F., Therien M.J. Computational design and elaboration of a de novo heterotetrameric alpha-helical protein that selectively binds an emissive abiological (porphinato)zinc chromophore. J Am Chem Soc 2010, 132:3997-4005.
-
(2010)
J Am Chem Soc
, vol.132
, pp. 3997-4005
-
-
Fry, H.C.1
Lehmann, A.2
Saven, J.G.3
DeGrado, W.F.4
Therien, M.J.5
-
55
-
-
62649107158
-
Design and engineering of an O(2) transport protein
-
Koder R.L., Anderson J.L., Solomon L.A., Reddy K.S., Moser C.C., Dutton P.L. Design and engineering of an O(2) transport protein. Nature 2009, 458:305-309.
-
(2009)
Nature
, vol.458
, pp. 305-309
-
-
Koder, R.L.1
Anderson, J.L.2
Solomon, L.A.3
Reddy, K.S.4
Moser, C.C.5
Dutton, P.L.6
-
56
-
-
77954811495
-
Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction
-
Siegel J.B., Zanghellini A., Lovick H.M., Kiss G., Lambert A.R., St Clair J.L., Gallaher J.L., Hilvert D., Gelb M.H., Stoddard B.L., et al. Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction. Science 2010, 329:309-313.
-
(2010)
Science
, vol.329
, pp. 309-313
-
-
Siegel, J.B.1
Zanghellini, A.2
Lovick, H.M.3
Kiss, G.4
Lambert, A.R.5
St Clair, J.L.6
Gallaher, J.L.7
Hilvert, D.8
Gelb, M.H.9
Stoddard, B.L.10
-
57
-
-
77957316716
-
An exciting but challenging road ahead for computational enzyme design
-
Baker D. An exciting but challenging road ahead for computational enzyme design. Protein Sci 2010, 19:1817-1819.
-
(2010)
Protein Sci
, vol.19
, pp. 1817-1819
-
-
Baker, D.1
|