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Publications


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213.N. Eswar,  A. Sali.   Protein Structure Modeling. In: Integrating Crystallography in Drug Discovery. 2008.
212.M.F. Kim,  A. Sali,  V. Dötsch,  M.L. Reese.   Efficient computational identification and docking of macromolecular interfaces using ambiguous NMR constraints. submitted,
211.U. Pieper,  R. Chiang,  J.J. Seffernick,  S.D. Brown,  M.E. Glasner,  N. Eswar,  M. Sauder,  S.K. Burley,  S. Almo,  J.A. Gerlt,  F. Raushel,  B.K. Shoichet,  M.P. Jacobson,  P.P. Babbitt,  A. Sali.   Target Selection and Annotation for the Structural Genomics of Enolases and Amidohydrolases. submitted,
210.M.S. Madhusudhan,  M.A. Marti-Renom,  N. Eswar,  A. Sali.   Alignment of multiple protein structures based on sequence and structure features. submitted,
209.C.M. Anderson,  D. Korkin,  D.L. Smith,  S. Makovets,  J.J. Seidel,  A. Sali,  E.H. Blackburn.   Tel2 mediates activation and localization of ATM/Tel1 kinase to a double-strand break. Genes Dev. 22, 854-859, 2008.
208.K. Lasker,  M. Topf,  A. Sali,  H. Wolfson.   Fitting multiple components into a cryoEM map of their assembly. submitted,
207.F. Förster,  B. Webb,  K.A. Krukenberg,  H. Tsuruta,  D.A. Agard,  A. Sali.   Integration of small angle X-ray scattering and protein structure modeling. submitted,
206.L. Kelly,  U. Pieper,  F. Hays,  N. Eswar,  D. Kroetz,  K. Giacomini,  R. Stroud,  A. Sali.   A taxonomic profile of the membrane protein universe . submitted,
205.D. Eramian,  N. Eswar,  M-Y. Shen,  A. Sali.   Can the accuracy of comparative protein structure models be predicted?. submitted,
204.K.A. Krukenberg,  F. Förster,  L.M. Rice,  A. Sali,  D.A. Agard.   A novel conformation of E. coli Hsp90 in solution: insights into the conformational dynamics of Hsp90. Structure 16, 755-765, 2008.
203.R. Karchin,  M. Agarwal,   Sali,  F.A. Couch,  M.S. Beattie.   Classifying Variants of Undetermined Significance in BRCA2 with Protein Likelihood Ratios. Cancer Informatics 4, 203-216, 2008.
202.F. Agüero,  B. Al-Lazikani,  BerrimanM. ,  F.S. Buckner,  CampbellB. ,  s. Carmona,   FengChen,  G. CrowtherJ,  C. Hertz-Fowler,  A.L. Hopkins,  G. McAllister,  S. Nwaka,  OveringtonJ. ,  A. Pain,  G.V. Paolini,  U. Pieper,  S.A. Ralph,  A. Riechers,  D.S. Roos,  A. Sali,  D. Shanmugam,  T. Suzuki,  W.C. VanVoorhis,  C.L. Verlinde.   Genomic-scale Prioritization of Drug Targets: TDRtargets.org. submitted,
201.J. Espadaler,  N. Eswar,  E. Querol,  F.X. Aviles,  A. Sali,  M. Marti-Renom,  B. Oliva.   Prediction of enzyme function by combining sequence similarity and protein interactions. BMC Bioinformatics, in press,
200.F. Alber,  S. Dokudovskaya,  L. Veenhoff,  W. Zhang,  J. Kipper,  D. Devos,  A. Suprapto,  O. Karni,  R. Williams,  B.T. Chait,  M.P Rout,  A. Sali.   Determining the architectures of macromolecular assemblies. Nature 450, 683-694, 2007. NPC PubMed
199.F. Alber,  S. Dokudovskaya,  L. Veenhoff,  W. Zhang,  J. Kipper,  D. Devos,  A. Suprapto,  O. Karni,  R. Williams,  B.T. Chait,  A. Sali,  M.P. Rout.   The Molecular Architecture of the Nuclear Pore Complex. Nature 450, 695-701, 2007. NPC PubMed
198.C.V. Robinson,  A. Sali,  W. Baumeister.   Molecular sociology of the cell. Nature 450, 973-982, 2007.Nature
197.M. Topf,  K. Lasker,  B. Webb,  H. Wolfson,  W. Chiu,  A. Sali.   Protein Structure Fitting and Refinement Guided by cryoEM Density. Structure 16, 295-307, 2008. PubMed
196.F. Alber,  F. Förster,  D. Korkin,  M. Topf,  A. Sali.   Integrating Diverse Data for Structure Determination of Macromolecular Assemblies. Annual Review in Biochemistry 77, 11.1–11.35, 2008.
195.N. Eswar,  B. Webb,  M.A. Marti-Renom,  M.S. Madhusudhan,  D. Eramian,  M-Y. Shen,  U. Pieper,  A. Sali.   Comparative Protein Structure Modeling Using MODELLER. Ed: Coligan JE, Dunn BM, Speicher DW, Wingfield PT. Current Protocols in Protein Science Unit 2.9 1-31, PDF
194.P. Chandramouli,  M. Topf,  JF. Ménétret,  N. Eswar,  R.R. Gutell,  A. Sali,  C.W. Akey.   Structure of the Mammalian 80S Ribosome at 8.7Ĺ Resolution . 16, 535-548, 2008. PDF
193.A. Sali,  C.D. Lima,  M. Kostic.   Structural genomics. Structure 15, 1341, 2007. PubMed
192.F. Melo,  A. Sali.   Fold Assessment for Comparative Protein Structure Modelling. Protein Science 16, 2412-2426, 2007. PubMed
191.F. Alber,  B.T. Chait,  M.P. Rout,  A. Sali.   Integrative Structure Determination of Protein Assemblies by Satisfaction of Spatial Restraints. In: Protein-protein interactions and networks: identification, characterization and prediction. Ed: Panchenko, A. and Przytycka, T. Cambridge University Press, Cambridge, UK.
190.S.K. Burley,  S.C. Almo,  J.B. Bonanno,  M.R Chance,  S. Emtage,  A. Fiser,  A. Sali,  J.M. Sauder,  S. Swaminathan.   Structural Genomics of Protein Superfamilies. Structural Bioinformatics, 2nd Edition in press,
189.S.C. Almo,  J.B. Bonanno,  J.M. Sauder,  S. Emtage,  T.P. Dilorenzo,  V. Malashkevich,  S.R. Wasserman,  S. Swaminathan,  S. Eswaramoorthy,  R. Agarwal,  D. Kumaran,  M. Madegowda,  S. Ragumani,  Y. Patskovsky,  J. Alvarado,  U.A. Ramagopal,  J. Faber-Barata,  M.R. Chance,  A. Sali,  A. Fiser,  Z.Y. Zhang,  D.S. Lawrence,  S.K. Burley.   Structural genomics of protein phosphatases. Journal of Structural and Functional Genomics 8, 121-140, 2007. PDF
188.C.R. Booth,  A.S. Meyer,  Y. Cong,  M. Topf,  A. Sali,  S.J. Ludtke,  W. Chiu,  J. Frydman.   Mechanism of lid closure in the eukaryotic chaperonin TRiC/CCT. Nature Structural and Molecular Biology in press,
187.F.P. Davis,  D.T. Barkan,  N. Eswar,  J.H. McKerrow,  A. Sali.   Host-Pathogen Protein Interactions Predicted by Comparative Modeling. Protein Science 16, 2585-2596, 2007. PDFPubMed
186.M.A. Marti-Renom,  U. Pieper,  M.S Madhusudhan,  A. Rossi,  N. Eswar,  F.P. Davis,  F. Al-Shahrour,  J. Dopazo,  A. Sali.   DBAli tools: mining the protein structure space. Nucleic Acids Research 35, W393-W397, 2007. PDFPubMed
185.Y. Cong,  M. Topf,  A. Sali,  P. Matsudaira,  M.T. Dougherty,  W. Chiu,  M.F. Schmid.   Crystallographic Conformers of Actin in a Biologically Active Bundle of Filaments. J. Mol. Biol. 375, 331-6, 2008. PubMed
184.M.A. Marti-Renom,  A. Rossi,  F. Al-Shahrour,  F.P. Davis,  U. Pieper,  J. Dopazo,  A. Sali.   The AnnoLite and AnnoLyze Programs for Comparative Annotation of Protein Structures. BMC Bioinformatics 8 Suppl 4, 2007. PDFPubMed
183.R. Aragues,  A. Sali,  M.A. Marti-Renom,  B. Oliva.   Characterization of protein network hubs by inferring interacting motifs from binary protein interactions. PLoS Comp. Biol. 3, 1761-1771, 2007.
182.T. Schwede,  A. Sali,  N. Eswar,  M.C. Peitsch.   Protein Structure Modeling. In: Computational Structure Biology. Ed: T. Schwede, M.C. Peitsch, World Scientific Publishing Ltd.
181.N. Eswar,  D.Eramian ,  B.Webb ,  M.Shen ,  A. Sali.   Protein Structure Modeling With MODELLER. In: Methods in Molecular Biology: Structural Proteomics - High-throughput Methods. Ed: Kobe B, Guss M, Huber T. 2007. PDF
180.K. Bajaj,  M.S. Madhusudhan,  B.V. Adkar,  P. Chakrabarti,  C. Ramakrishnan,  A. Sali,  R. Varadarajan.   Stereochemical criteria for prediction of the effects of Proline mutations on protein stability. PLoS Comp. Biol. 3, e241, 2007. PDFPubMed
179.N. Soranzo,  L. Kelly,  L. Martinian,  M-W. Burley,  M. Thom,  A. Sali,  D.L. Kroetz,  D.B. Goldstein,  S.M. Sisodiya.   Lack of support for a role for RLIP76 (RALBP1) in response to treatment or predisposition to epilepsy. Epilepsia Apr;48(4):674-83., 2007. PDFPubMed
178.E. Feyfant,  A. Fiser,  A. Sali.   Modeling mutations in protein structures. Protein Science 16, 2030-2041, 2007. PDF
177.S.X. Wang,  K.C. Pandey,  J. Scharfstein,  J. Whisstock,  R.K. Huang,  J. Jacobelli,  R.J. Fletterick,  P.J. Rosenthal,  M. Abrahamson,  A. Rossi,  A. Sali,  J.H. McKerrow.   The structure of chagasin in complex with a cysteine protease clarifies the binding mode and evolution of a new inhibitor family. Structure 15, 535-543, 2007. PubMed
176.M.A. Carvalho,  S.M. Marsillac,  R. Karchin,  S. Manoukian,  S. Grist,  R. Swaby,  T.P. Urmenyi,  E. Rondinelli,  R. Silva,  L. Gayol,  L. Baumbach,  R. Sutphen,  J.L. Pickard,  K.L. Nathanson,  A. Sali,  D. Goldgar,  F.J. Couch,  P. Radice,  A.N.A. Monteiro.   Determination of cancer risk associated with germline BRCA1 missense variants by functional analysis. Cancer Research 15;67(4), 1494-501, 2007. PDFPubMed
175.N. Eswar,  A. Sali.   Comparative Modeling of Drug Target Proteins. In: Volume 4 Computer-Assisted Drug Design, Comprehensive Medicinal Chemistry II. Ed: J. Taylor and D. Triggle and J.S. Mason. Elsevier Ltd, Oxford, UK, 215-236, 2007. PDF
174.L. Kelly,  R. Karchin,  A. Sali.   Protein interactions and disease phenotypes in the ABC transporter superfamily. Pacific Symposium on Biocomputing 12, 51-63, 2007. PDF
173.R. Karchin,  A.N.A. Monteiro,  S.V. Tavtigian,  M.A. Carvalho,  A. Sali.   Functional impact of missense variants in BRCA1 predicted by supervised learning. PLoS Computational Biology 3(2): e26, 2007. PDFPubMed
172.M-Y. Shen,  A. Sali.   Statistical Potential for Assessment and Prediction of Protein Structures. Protein Science 15, 2507 - 2524, 2006. PDFPubMed
171.A. Colubri,  A. Jha,  M. Shen,  A. Sali,  R.S. Berry,  T. Sosnick,  K.F. Freed.   Minimalist representations and the importance of nearest neighbor effects in protein folding simulations. Journal of Molecular Biology 363(4), 835-57, 2006. PDFPubMed
170.H.M. Berman,  S.K. Burley,  W. Chiu,  A. Sali,  A. Adzhubei,  P.E. Bourne,  S.H. Bryant,  J. Roland,  L. Dunbrack,  K. Fidelis,  J. Frank,  A. Godzik,  K. Henrick,  A. Joachimiak,  B. Heymann,  D. Jones,  J.L. Markley,  J. Moult,  G.T. Montelione,  C. Orengo,  M.G. Rossmann,  B. Rost,  H. Saibil,  T. Schwede,  D.M. Standley,  J.D. Westbrook.   Outcome of a workshop on archiving structural models of biological macromolecules. Structure 14, 1211-1217, 2006. PDFPubMed
169.T.D. Nguyen,  J.M. Gow,  L.W. Chinn,  L. Kelly,  H. Jeong,  C.C. Huang,  D. Stryke,  M. Kawamoto,  S.J. Johns,  E. Carlson,  T. Taylor,  T.E. Ferrin,  A. Sali,  K.M. Giacomini,  D.L. Kroetz.   PharmGKB Submission Update: IV. PMT Submissions of Genetic Variations in ATP-Binding Cassette Transporters to the PharmGKB Network. Pharmacological Reviews 58, 1-2, 2006. PDFPubMed
168.V.D. Winn,  R. Haimov-Kochman,  A.C. Paquet,  Y.J. Yang,  M.S. Madhusudhan,  M. Gormley,  V. Feng,  D.A. Bernlohr,  S. McDonagh,  L. Pereira,  A. Sali,  S.J. Fisher.   Gene Expression Profiling of the Human Maternal-Fetal Interface Over Gestation Reveals Dramatic Changes between Midgestation and Term. Endocrinology 148, 1059-79, 2007. PDFPubMed
167.F.P. Davis,  H. Braberg,  M.Y. Shen,  U. Pieper,  A. Sali,  M.S. Madhusudhan.   Protein complex compositions predicted by structural similarity. Nucleic Acids Research 34, 2943-2952, 2006. PDFPubMed
166.A. Rossi,  M.A. Marti-Renom,  A. Sali.   Localization of binding sites in protein structures by optimization of a composite scoring function. Protein Science 15(10), 2366-80, 2006. PDFPubMed
165.N. Eswar,  M.A. Marti-Renom,  B. Webb,  M.S. Madhusudhan,  D. Eramian,  M.Y. Shen,  U. Pieper,  A. Sali.   Comparative Protein Structure Modeling using MODELLER. Ed: Baxevanis AD, Petsko GA, Stein LD, Stormo GD. Current Protocols in Bioinformatics John Wiley & Sons, Inc., Hoboken, NJ, Supplement 15, 5.6.1-5.6.30, 2006. PDF
164.S. Dokudovskaya,  R. Williams,  D. Devos,  A. Sali,  B.T. Chait,  M. Rout.   Protease Accessibility Laddering (PAL) - A Proteomic Tool for Probing Protein Structure. Structure 14, 653-660, 2006. PDFPubMed
163.D. Eramian,  M.Y. Shen,  D. Devos,  F. Melo,  A. Sali,  M.A. Marti-Renom.   A composite score for predicting errors in protein structure models. Protein Science 15, 1653-66, 2006. PDFPubMed
162.D. Korkin,  F.P. Davis,  F. Alber,  T. Luong,  M. Shen,  V. Lucic,  M.B. Kennedy,  A. Sali.   Structural Modeling of Protein Interactions by Analogy: Application to PSD-95. PLoS Computational Biology 2(11); e153, 1365-1376, 2006. PDFPubMed
161.M. Topf,  M.L. Baker,  M.A. Marti-Renom,  W. Chiu,  A. Sali.   Refinement of Protein Structures by Iterative Comparative Modeling and CryoEM Density Fitting. Journal of Molecular Biology 357, 1655-1668, 2006. PDFPubMed
160.U. Pieper,  N. Eswar,  F.P. Davis,  H. Braberg,  M.S. Madhusudhan,  A. Rossi,  M. Marti-Renom,  R. Karchin,  B.M. Webb,  D. Eramian,  M.Y. Shen,  L. Kelly,  F. Melo,  A. Sali.   MODBASE, a database of annotated comparative protein structure models and associated resources. Nucleic Acids Research 34, D291-D295, 2006. PDFPubMed
159.C. Lima,  J. Puglisi,  A. Sali,  L. Szewczak.   Editorial. Structure 14, 801, 2006. PDF
158.S.A. McMahon,  J.L. Miller,  J.A. Lawton,  D.E. Kerkow,  A. Hodes,  M.A. Marti-Renom,  S. Doulatov,  E. Narayanan,  A. Sali,  J.F. Miller,  P. Ghosh.   The C-type lectin fold as an evolutionary solution for massive sequence variation. Nature Structural & Molecular Biology 12, 886-892, 2005. PDFPubMed
157.M. Topf,  A. Sali.   Combining Electron Microscopy and Comparative Protein Structure Modeling. Current Opinion in Structural Biology 15, 578-585, 2005. PDFPubMed
156.J.B. Bonanno,  S.C. Almo,  A. Bresnick,  M.R. Chance,  A. Fiser,  S. Swaminathan,  J. Jiang,  F.W. Studier,  L. Shapiro,  C. Lima,  T. Gaasterland,  A. Sali,  K. Bain,  I. Feil,  X. Gao,  D. Lorimer,  A. Ramos,  M. Sauder,  S. Wasserman,  S. Emtage,  K. DAmico,  S.K. Burley.   New York-Structural GenomiX Research Consortium (NYSGXRC): a large scale center for the protein structure initiative. Journal of Structural and Functional Genomics 6, 225-232, 2005. PDFPubMed
155. Min-yi Shen,  F.P. Davis,  A. Sali.   The optimal size of a globular protein domain: a simple sphere-packing model. Chemical Physics Letters 405, 224-228, 2005. PDF
154.M.S. Madhusudhan,  M.A. Marti-Renom,  R. Sanchez,  A. Sali.   Variable gap penalty for protein sequence-structure alignment. Protein Engineering Design & Selection 19, 129-133, 2006. PDF
153.D. Devos,  S. Dokudovskaya,  R. Williams,  F. Alber,  N. Eswar,  B.T. Chait,  M.P. Rout,  A. Sali.   Simple fold composition and modular architecture of the nuclear pore complex. PNAS 14, 2172-2177, 2006. PDFPubMed
152.D. Korkin,  F.P. Davis,  A. Sali.   Localization of protein-binding sites within families of proteins. Protein Science 14, 2350-2360, 2005. PDFPubMed
151.A. Sali,  W. Chiu.   Macromolecular Assemblies Highlighted. Structure 13, 339-341, 2005. PDFPubMed
150.J. Dvorak,  M. Delcroix,  A. Rossi,  V. Vopalensky,  M. Pospisek,  M. Sedinova,  L. Mikes,  M. Sajid,  A. Sali,  J.H. Mckerrow,  P. Horak,  C.R. Caffrey.   Multiple cathepsin B isoforms in schistosomula of Trichobilharzia regenti: Identification, characterization and putative role in migration and nutrition. International Journal of Parasitology 35, 895-910, 2005. PDFPubMed
149.