20082007200620052004200320022001200019991998Earlier
Jiang L, Althoff EA, Clemente FR, Doyle L, Röthlisberger D, Zanghellini A, Gallaher JL, Betker JL, Tanaka F, Barbas CF, Hilvert D, Houk KN, Stoddard BL, Baker D (2008).
De novo computational design of retro-aldol enzymes.
Science 319, 1387-91.
20082007200620052004200320022001200019991998Earlier
André I, Bradley P, Wang C, Baker D (2007).
Prediction of the structure of symmetrical protein assemblies.
Proc. Natl. Acad. Sci. U.S.A. 104, 17656-61.
Barth P, Schonbrun J, Baker D (2007).
Toward high-resolution prediction and design of transmembrane helical protein structures.
Proc. Natl. Acad. Sci. U.S.A. 104, 15682-7.
Dantas G, Corrent C, Reichow SL, Havranek JJ, Eletr ZM, Isern NG, Kuhlman B, Varani G, Merritt EA, Baker D (2007).
High-resolution structural and thermodynamic analysis of extreme stabilization of human procarboxypeptidase by computational protein design.
J. Mol. Biol. 366, 1209-21.
Das R, Qian B, Raman S, Vernon R, Thompson J, Bradley P, Khare S, Tyka MD, Bhat D, Chivian D, Kim DE, Sheffler WH, Malmström L, Wollacott AM, Wang C, Andre I, Baker D (2007).
Structure prediction for CASP7 targets using extensive all-atom refinement with Rosetta@home.
Proteins 69 Suppl 8, 118-28.
Das R, Baker D (2007).
Automated de novo prediction of native-like RNA tertiary structures.
Proc. Natl. Acad. Sci. U.S.A. 104, 14664-9.
Lengyel CS, Willis LJ, Mann P, Baker D, Kortemme T, Strong RK, McFarland BJ (2007).
Mutations designed to destabilize the receptor-bound conformation increase MICA-NKG2D association rate and affinity.
J. Biol. Chem. 282, 30658-66.
Malmström L, Riffle M, Strauss CE, Chivian D, Davis TN, Bonneau R, Baker D (2007).
Superfamily assignments for the yeast proteome through integration of structure prediction with the gene ontology.
PLoS Biol. 5, e76.
Qian B, Raman S, Das R, Bradley P, McCoy AJ, Read RJ, Baker D (2007).
High-resolution structure prediction and the crystallographic phase problem.
Nature 450, 259-64.
Qiu J, Sheffler W, Baker D, Noble WS (2007).
Ranking predicted protein structures with support vector regression.
, .
Shcherbata HR, Yatsenko AS, Patterson L, Sood VD, Nudel U, Yaffe D, Baker D, Ruohola-Baker H (2007).
Dissecting muscle and neuronal disorders in a Drosophila model of muscular dystrophy.
EMBO J. 26, 481-93.
Wang C, Bradley P, Baker D (2007).
Protein-protein docking with backbone flexibility.
J. Mol. Biol. 373, 503-19.
Wang C, Schueler-Furman O, Andre I, London N, Fleishman SJ, Bradley P, Qian B, Baker D (2007).
RosettaDock in CAPRI rounds 6-12.
Proteins 69, 758-63.
Watters AL, Deka P, Corrent C, Callender D, Varani G, Sosnick T, Baker D (2007).
The highly cooperative folding of small naturally occurring proteins is likely the result of natural selection.
Cell 128, 613-24.
Wojtowicz WM, Wu W, Andre I, Qian B, Baker D, Zipursky SL (2007).
A vast repertoire of Dscam binding specificities arises from modular interactions of variable Ig domains.
Cell 130, 1134-45.
Wollacott AM, Zanghellini A, Murphy P, Baker D (2007).
Prediction of structures of multidomain proteins from structures of the individual domains.
Protein Sci. 16, 165-75.
Yatsenko AS, Gray EE, Shcherbata HR, Patterson LB, Sood VD, Kucherenko MM, Baker D, Ruohola-Baker H (2007).
A putative Src homology 3 domain binding motif but not the C-terminal dystrophin WW domain binding motif is required for dystroglycan function in cellular polarity in Drosophila.
J. Biol. Chem. 282, 15159-69.
20082007200620052004200320022001200019991998Earlier
Arakaki T, Le Trong I, Phizicky E, Quartley E, DeTitta G, Luft J, Lauricella A, Anderson L, Kalyuzhniy O, Worthey E, Myler PJ, Kim D, Baker D, Hol WG, Merritt EA (2006).
Structure of Lmaj006129AAA, a hypothetical protein from Leishmania major.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun. 62, 175-9.
Ashworth J, Havranek JJ, Duarte CM, Sussman D, Monnat RJ, Stoddard BL, Baker D (2006).
Computational redesign of endonuclease DNA binding and cleavage specificity.
Nature 441, 656-9.
Baker D (2006).
Prediction and design of macromolecular structures and interactions.
Philos. Trans. R. Soc. Lond., B, Biol. Sci. 361, 459-63.[Full Text PDF]
Dantas G, Watters AL, Lunde BM, Eletr ZM, Isern NG, Roseman T, Lipfert J, Doniach S, Tompa M, Kuhlman B, Stoddard BL, Varani G, Baker D (2006).
Mis-translation of a computationally designed protein yields an exceptionally stable homodimer: implications for protein engineering and evolution.
J. Mol. Biol. 362, 1004-24.
Misura KM, Chivian D, Rohl CA, Kim DE, Baker D (2006).
Physically realistic homology models built with ROSETTA can be more accurate than their templates.
Proc. Natl. Acad. Sci. U.S.A. 103, 5361-6.
Thompson MJ, Sievers SA, Karanicolas J, Ivanova MI, Baker D, Eisenberg D (2006).
The 3D profile method for identifying fibril-forming segments of proteins.
Proc. Natl. Acad. Sci. U.S.A. 103, 4074-8.
Yarov-Yarovoy V, Baker D, Catterall WA (2006).
Voltage sensor conformations in the open and closed states in ROSETTA structural models of K(+) channels.
Proc. Natl. Acad. Sci. U.S.A. 103, 7292-7.[Full Text PDF]
Yarov-Yarovoy V, Schonbrun J, Baker D (2006).
Multipass membrane protein structure prediction using Rosetta.
Proteins 62, 1010-25.[Full Text PDF]
Zanghellini A, Jiang L, Wollacott AM, Cheng G, Meiler J, Althoff EA, Röthlisberger D, Baker D (2006).
New algorithms and an in silico benchmark for computational enzyme design.
Protein Sci. 15, 2785-94.
20082007200620052004200320022001200019991998Earlier
Bradley P, Malmström L, Qian B, Schonbrun J, Chivian D, Kim DE, Meiler J, Misura KM, Baker D (2005).
Free modeling with Rosetta in CASP6.
Proteins 61 Suppl 7, 128-34.[Full Text PDF]
Bradley P, Misura KM, Baker D (2005).
Toward high-resolution de novo structure prediction for small proteins.
Science 309, 1868-71.
Chivian D, Kim DE, Malmström L, Schonbrun J, Rohl CA, Baker D (2005).
Prediction of CASP6 structures using automated Robetta protocols.
Proteins 61 Suppl 7, 157-66.
Graña O, Baker D, MacCallum RM, Meiler J, Punta M, Rost B, Tress ML, Valencia A (2005).
CASP6 assessment of contact prediction.
Proteins 61 Suppl 7, 214-24.[Full Text PDF]
Jiang L, Kuhlman B, Kortemme T, Baker D (2005).
A "solvated rotamer" approach to modeling water-mediated hydrogen bonds at protein-protein interfaces.
Proteins 58, 893-904.
Kim DE, Chivian D, Malmström L, Baker D (2005).
Automated prediction of domain boundaries in CASP6 targets using Ginzu and RosettaDOM.
Proteins 61 Suppl 7, 193-200.[Full Text PDF]
Lacy DB, Lin HC, Melnyk RA, Schueler-Furman O, Reither L, Cunningham K, Baker D, Collier RJ (2005).
A model of anthrax toxin lethal factor bound to protective antigen.
Proc. Natl. Acad. Sci. U.S.A. 102, 16409-14.[Full Text PDF]
Morozov AV, Havranek JJ, Baker D, Siggia ED (2005).
Protein-DNA binding specificity predictions with structural models.
Nucleic Acids Res. 33, 5781-98.[Full Text PDF]
Schueler-Furman O, Wang C, Bradley P, Misura K, Baker D (2005).
Progress in modeling of protein structures and interactions.
Science 310, 638-42.
Wang C, Schueler-Furman O, Baker D (2005).
Improved side-chain modeling for protein-protein docking.
Protein Sci. 14, 1328-39.
20082007200620052004200320022001200019991998Earlier
Havranek JJ, Duarte CM, Baker D (2004).
A simple physical model for the prediction and design of protein-DNA interactions.
J. Mol. Biol. 344, 59-70.
Kim DE, Chivian D, Baker D (2004).
Protein structure prediction and analysis using the Robetta server.
Nucleic Acids Res. 32, W526-31.
Kortemme T, Joachimiak LA, Bullock AN, Schuler AD, Stoddard BL, Baker D (2004).
Computational redesign of protein-protein interaction specificity.
Nat. Struct. Mol. Biol. 11, 371-9.
Kortemme T, Baker D (2004).
Computational design of protein-protein interactions.
8, 91-7.
Morozov AV, Kortemme T, Tsemekhman K, Baker D (2004).
Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations.
Proc. Natl. Acad. Sci. U.S.A. 101, 6946-51.
Rohl CA, Strauss CE, Misura KM, Baker D (2004).
Protein structure prediction using Rosetta.
Meth. Enzymol. 383, 66-93.
Rohl CA, Strauss CE, Chivian D, Baker D (2004).
Modeling structurally variable regions in homologous proteins with rosetta.
Proteins 55, 656-77.[Full Text PDF]
Svensson HG, Wedemeyer WJ, Ekstrom JL, Callender DR, Kortemme T, Kim DE, Sjöbring U, Baker D (2004).
Contributions of amino acid side chains to the kinetics and thermodynamics of the bivalent binding of protein L to Ig kappa light chain.
Biochemistry 43, 2445-57.[Full Text PDF]
von Grotthuss M, Wyrwicz LS, Pas J, Rychlewski L (2004).
Predicting protein structures accurately.
Science 304, 1597-9; author reply.[Full Text PDF]
Watters AL, Baker D (2004).
Searching for folded proteins in vitro and in silico.
Eur. J. Biochem. 271, 1615-22.[Full Text PDF]
20082007200620052004200320022001200019991998Earlier
Bradley P, Chivian D, Meiler J, Misura KM, Rohl CA, Schief WR, Wedemeyer WJ, Schueler-Furman O, Murphy P, Schonbrun J, Strauss CE, Baker D (2003).
Rosetta predictions in CASP5: successes, failures, and prospects for complete automation.
Proteins 53 Suppl 6, 457-68.
Chivian D, Robertson T, Bonneau R, Baker D (2003).
Ab initio methods.
44, 547-57.
Dantas G, Kuhlman B, Callender D, Wong M, Baker D (2003).
A large scale test of computational protein design: folding and stability of nine completely redesigned globular proteins.
J. Mol. Biol. 332, 449-60.
Gray JJ, Moughon SE, Kortemme T, Schueler-Furman O, Misura KM, Morozov AV, Baker D (2003).
Protein-protein docking predictions for the CAPRI experiment.
Proteins 52, 118-22.
Gray JJ, Moughon S, Wang C, Schueler-Furman O, Kuhlman B, Rohl CA, Baker D (2003).
Protein-protein docking with simultaneous optimization of rigid-body displacement and side-chain conformations.
J. Mol. Biol. 331, 281-99.
Ivankov DN, Garbuzynskiy SO, Alm E, Plaxco KW, Baker D, Finkelstein AV (2003).
Contact order revisited: influence of protein size on the folding rate.
Protein Sci. 12, 2057-62.[Full Text PDF]
Kuhlman B, Dantas G, Ireton GC, Varani G, Stoddard BL, Baker D (2003).
Design of a novel globular protein fold with atomic-level accuracy.
Science 302, 1364-8.
Meiler J, Baker D (2003).
Coupled prediction of protein secondary and tertiary structure.
Proc. Natl. Acad. Sci. U.S.A. 100, 12105-10.
Meiler J, Baker D (2003).
Rapid protein fold determination using unassigned NMR data.
Proc. Natl. Acad. Sci. U.S.A. 100, 15404-9.
A. Morozov, T. Kortemme,D. Baker (2003).
Evaluation of Models of Electrostatic Interactions in Proteins
J. Phys. Chem. B 107, 2075-2090.
Scalley-Kim M, Minard P, Baker D (2003).
Low free energy cost of very long loop insertions in proteins.
Protein Sci. 12, 197-206.[Full Text PDF]
Schueler-Furman O, Baker D (2003).
Conserved residue clustering and protein structure prediction.
Proteins 52, 225-35.
Tsai J, Bonneau R, Morozov AV, Kuhlman B, Rohl CA, Baker D (2003).
An improved protein decoy set for testing energy functions for protein structure prediction.
Proteins 53, 76-87.[Full Text PDF]
Yi Q, Rajagopal P, Klevit RE, Baker D (2003).
Structural and kinetic characterization of the simplified SH3 domain FP1.
Protein Sci. 12, 776-83.
20082007200620052004200320022001200019991998Earlier
Alm E, Morozov AV, Kortemme T, Baker D (2002).
Simple physical models connect theory and experiment in protein folding kinetics.
J. Mol. Biol. 322, 463-76.[Full Text PDF]
Bonneau R, Ruczinski I, Tsai J, Baker D (2002).
Contact order and ab initio protein structure prediction.
Protein Sci. 11, 1937-44.
Bonneau R, Strauss CE, Rohl CA, Chivian D, Bradley P, Malmström L, Robertson T, Baker D (2002).
De novo prediction of three-dimensional structures for major protein families.
J. Mol. Biol. 322, 65-78.
Chevalier BS, Kortemme T, Chadsey MS, Baker D, Monnat RJ, Stoddard BL (2002).
Design, activity, and structure of a highly specific artificial endonuclease.
Mol. Cell 10, 895-905.[Full Text PDF]
Kortemme T, Baker D (2002).
A simple physical model for binding energy hot spots in protein-protein complexes.
Proc. Natl. Acad. Sci. U.S.A. 99, 14116-21.
Krantz BA, Srivastava AK, Nauli S, Baker D, Sauer RT, Sosnick TR (2002).
Understanding protein hydrogen bond formation with kinetic H/D amide isotope effects.
Nat. Struct. Biol. 9, 458-63.[Full Text PDF]
Larson SM, Ruczinski I, Davidson AR, Baker D, Plaxco KW (2002).
Residues participating in the protein folding nucleus do not exhibit preferential evolutionary conservation.
J. Mol. Biol. 316, 225-33.[Full Text PDF]
Nauli S, Kuhlman B, Le Trong I, Stenkamp RE, Teller D, Baker D (2002).
Crystal structures and increased stabilization of the protein G variants with switched folding pathways NuG1 and NuG2.
Protein Sci. 11, 2924-31.
Ruczinski I, Kooperberg C, Bonneau R, Baker D (2002).
Distributions of beta sheets in proteins with application to structure prediction.
Proteins 48, 85-97.
Maximillian Schlosshauer,D. Baker (2002).
A General Expression for Bimolecular Association Rates with Orientational Constraints
J. Phys. Chem. B 106, 12079-12083.
Schonbrun J, Wedemeyer WJ, Baker D (2002).
Protein structure prediction in 2002.
Curr. Opin. Struct. Biol. 12, 348-54.
20082007200620052004200320022001200019991998Earlier
Bonneau R, Tsai J, Ruczinski I, Chivian D, Rohl C, Strauss CE, Baker D (2001).
Rosetta in CASP4: progress in ab initio protein structure prediction.
Proteins Suppl 5, 119-26.
Bonneau R, Tsai J, Ruczinski I, Baker D (2001).
Functional inferences from blind ab initio protein structure predictions.
J. Struct. Biol. 134, 186-90.
Grantcharova V, Alm EJ, Baker D, Horwich AL (2001).
Mechanisms of protein folding.
Curr. Opin. Struct. Biol. 11, 70-82.[Full Text PDF]
Grantcharova VP, Baker D (2001).
Circularization changes the folding transition state of the src SH3 domain.
J. Mol. Biol. 306, 555-63.
Kuhlman B, O'Neill JW, Kim DE, Zhang KY, Baker D (2001).
Conversion of monomeric protein L to an obligate dimer by computational protein design.
Proc. Natl. Acad. Sci. U.S.A. 98, 10687-91.
Lee MR, Tsai J, Baker D, Kollman PA (2001).
Molecular dynamics in the endgame of protein structure prediction.
J. Mol. Biol. 313, 417-30.[Full Text PDF]
Minard P, Scalley-Kim M, Watters A, Baker D (2001).
A "loop entropy reduction" phage-display selection for folded amino acid sequences.
Protein Sci. 10, 129-34.
Nauli S, Kuhlman B, Baker D (2001).
Computer-based redesign of a protein folding pathway.
Nat. Struct. Biol. 8, 602-5.
J. W. O'Neill, D. E. Kim, D. Baker,K. Y. Zhang (2001).
Structures of the B1 domain of protein L from Peptostreptococcus magnus with a tyrosine to tryptophan substitution
Acta Crystallogr D Biol Crystallogr 57, 480-7.
J. W. O'Neill, D. E. Kim, K. Johnsen, D. Baker,K. Y. Zhang (2001).
Single-site mutations induce 3D domain swapping in the B1 domain of protein L from Peptostreptococcus magnus
Structure (Camb) 9, 1017-27.
Simons KT, Strauss C, Baker D (2001).
Prospects for ab initio protein structural genomics.
J. Mol. Biol. 306, 1191-9.[Full Text PDF]
20082007200620052004200320022001200019991998Earlier
Baker D (2000).
A surprising simplicity to protein folding.
Nature 405, 39-42.
Bowers PM, Strauss CE, Baker D (2000).
De novo protein structure determination using sparse NMR data.
J. Biomol. NMR 18, 311-8.
Grantcharova VP, Riddle DS, Baker D (2000).
Long-range order in the src SH3 folding transition state.
Proc. Natl. Acad. Sci. U.S.A. 97, 7084-9.
Kim DE, Fisher C, Baker D (2000).
A breakdown of symmetry in the folding transition state of protein L.
J. Mol. Biol. 298, 971-84.
Kuhlman B, Baker D (2000).
Native protein sequences are close to optimal for their structures.
Proc. Natl. Acad. Sci. U.S.A. 97, 10383-8.
McCallister EL, Alm E, Baker D (2000).
Critical role of beta-hairpin formation in protein G folding.
Nat. Struct. Biol. 7, 669-73.
Plaxco KW, Larson S, Ruczinski I, Riddle DS, Thayer EC, Buchwitz B, Davidson AR, Baker D (2000).
Evolutionary conservation in protein folding kinetics.
J. Mol. Biol. 298, 303-12.
Yi Q, Scalley-Kim ML, Alm EJ, Baker D (2000).
NMR characterization of residual structure in the denatured state of protein L.
J. Mol. Biol. 299, 1341-51.
20082007200620052004200320022001200019991998Earlier
Alm E, Baker D (1999).
Matching theory and experiment in protein folding.
Curr. Opin. Struct. Biol. 9, 189-96.
Baker D, DeGrado WF (1999).
Engineering and design
9, 485-6.
Gu H, Doshi N, Kim DE, Simons KT, Santiago JV, Nauli S, Baker D (1999).
Robustness of protein folding kinetics to surface hydrophobic substitutions.
Protein Sci. 8, 2734-41.
Plaxco KW, Millett IS, Segel DJ, Doniach S, Baker D (1999).
Chain collapse can occur concomitantly with the rate-limiting step in protein folding.
Nat. Struct. Biol. 6, 554-6.
Riddle DS, Grantcharova VP, Santiago JV, Alm E, Ruczinski I, Baker D (1999).
Experiment and theory highlight role of native state topology in SH3 folding.
Nat. Struct. Biol. 6, 1016-24.
Scalley ML, Nauli S, Gladwin ST, Baker D (1999).
Structural transitions in the protein L denatured state ensemble.
Biochemistry 38, 15927-35.
Simons KT, Bonneau R, Ruczinski I, Baker D (1999).
Ab initio protein structure prediction of CASP III targets using ROSETTA.
Proteins Suppl 3, 171-6.
Tsai J, Levitt M, Baker D (1999).
Hierarchy of structure loss in MD simulations of src SH3 domain unfolding.
J. Mol. Biol. 291, 215-25.
20082007200620052004200320022001200019991998Earlier
Baker D (1998).
Metastable states and folding free energy barriers.
Nat. Struct. Biol. 5, 1021-4.[Full Text PDF]
Grantcharova VP, Riddle DS, Santiago JV, Baker D (1998).
Important role of hydrogen bonds in the structurally polarized transition state for folding of the src SH3 domain.
Nat. Struct. Biol. 5, 714-20.
Kim DE, Gu H, Baker D (1998).
The sequences of small proteins are not extensively optimized for rapid folding by natural selection.
Proc. Natl. Acad. Sci. U.S.A. 95, 4982-6.
Kim DE, Yi Q, Gladwin ST, Goldberg JM, Baker D (1998).
The single helix in protein L is largely disrupted at the rate-limiting step in folding.
J. Mol. Biol. 284, 807-15.
Plaxco KW, Simons KT, Baker D (1998).
Contact order, transition state placement and the refolding rates of single domain proteins.
J. Mol. Biol. 277, 985-94.
Plaxco KW, Riddle DS, Grantcharova V, Baker D (1998).
Simplified proteins: minimalist solutions to the 'protein folding problem'.
Curr. Opin. Struct. Biol. 8, 80-5.
Plaxco KW, Baker D (1998).
Limited internal friction in the rate-limiting step of a two-state protein folding reaction.
Proc. Natl. Acad. Sci. U.S.A. 95, 13591-6.
Shortle D, Simons KT, Baker D (1998).
Clustering of low-energy conformations near the native structures of small proteins.
Proc. Natl. Acad. Sci. U.S.A. 95, 11158-62.
Yi Q, Bystroff C, Rajagopal P, Klevit RE, Baker D (1998).
Prediction and structural characterization of an independently folding substructure in the src SH3 domain.
J. Mol. Biol. 283, 293-300.
20082007200620052004200320022001200019991998Earlier
Grantcharova VP, Baker D (1997).
Folding dynamics of the src SH3 domain.
Biochemistry 36, 15685-92.
Doyle R, Simons K, Qian H, Baker D (1997).
Local interactions and the optimization of protein folding.
Proteins 29, 282-91.
Riddle DS, Santiago JV, Bray-Hall ST, Doshi N, Grantcharova VP, Yi Q, Baker D (1997).
Functional rapidly folding proteins from simplified amino acid sequences.
Nat. Struct. Biol. 4, 805-9.
Scalley ML, Yi Q, Gu H, McCormack A, Yates JR, Baker D (1997).
Kinetics of folding of the IgG binding domain of peptostreptococcal protein L.
Biochemistry 36, 3373-82.
Yi Q, Scalley ML, Simons KT, Gladwin ST, Baker D (1997).
Characterization of the free energy spectrum of peptostreptococcal protein L.
2, 271-80.
Bystroff C, Simons KT, Han KF, Baker D (1996).
Local sequence-structure correlations in proteins.
Curr. Opin. Biotechnol. 7, 417-21.
Han KF, Baker D (1995).
Recurring local sequence motifs in proteins.
J. Mol. Biol. 251, 176-87.[Full Text PDF]
Gu H, Yi Q, Bray ST, Riddle DS, Shiau AK, Baker D (1995).
A phage display system for studying the sequence determinants of protein folding.
Protein Sci. 4, 1108-17.
Baker D, Agard DA (1994).
Influenza hemagglutinin: kinetic control of protein function.
Structure 2, 907-10.
Baker D, Agard DA (1994).
Kinetics versus thermodynamics in protein folding.
Biochemistry 33, 7505-9.
D. Baker, C. Bystroff, R. J. Fletterick,D. A. Agard (1993).
PRISM - TOPOLOGICALLY CONSTRAINED PHASE REFINEMENT FOR MACROMOLECULAR CRYSTALLOGRAPHY
ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY 49, 429-439.
Baker D, Sohl JL, Agard DA (1992).
A protein-folding reaction under kinetic control.
Nature 356, 263-5.

Last updated Thu Mar 13 11:31:54 2008