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1. Vakser, IA; Jiang, SL
   Strategies for modeling the interactions of transmembrane helices of G protein-coupled receptors by geometric complementarity using the GRAMM computer algorithm
   G PROTEIN PATHWAYS, PT A, RECEPTORS
   
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2. Therien, AG; Grant, FEM; Deber, CM
   Interhelical hydrogen bonds in the CFTR membrane domain
   NATURE STRUCTURAL BIOLOGY
   
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3. Dastmalchi, S; Morris, MB; Church, WB
   Modeling of the structural features of integral-membrane proteins using reverse-environment prediction of integral membrane protein structure (REPIMPS)
   PROTEIN SCIENCE
   
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4. Pasternak, A; White, A; Jeffery, CJ; Medina, N; Cahoon, M; Ringe, D; Hedstrom, L
   The energetic cost of induced fit catalysis: Crystal structures of trypsinogen mutants with enhanced activity and inhibitor affinity
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5. Deepthi, S; Johnson, A; Pattabhi, V
   Structures of porcine beta-trypsin-detergent complexes: the stabilization of proteins through hydrophilic binding of polydocanol
   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
   
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6. Bienstock, RJ; Barrett, JC
   KAI1, a prostate metastasis' suppressor: Prediction of solvated structure and interactions with binding partners; Integrins, cadherins, and cell-surface receptor proteins
   MOLECULAR CARCINOGENESIS
   
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7. Pascal, JM; Day, PJ; Monzingo, AF; Ernst, SR; Robertus, JD; Iglesias, R; Perez, Y; Ferreras, JM; Citores, L; Girbes, T
   2.8-angstrom crystal structure of a nontoxic type-II ribosome-inactivatingprotein, ebulin 1
   PROTEINS-STRUCTURE FUNCTION AND GENETICS
   
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8. Ravichandran, S; Dasgupta, J; Chakrabarti, C; Ghosh, S; Singh, M; Dattagupta, JK
   The role of Asn14 in the stability and conformation of the reactive-site loop of winged bean chymotrypsin inhibitor: crystal structures of two point mutants Asn14 -> Lys and Asn14 -> Asp
   PROTEIN ENGINEERING
   
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9. Higo, J; Sugimoto, Y; Wakabayashi, K; Nakamura, H
   Collective motions of myosin head derived from backbone molecular dynamicsand combination with X-ray solution scattering data
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10. Gromiha, MM; Selvaraj, S
    Role of medium- and long-range interactions in discriminating globular andmembrane proteins
    INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
    
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11. Lowe, J; Li, H; Downing, KH; Nogales, E
    Refined structure of alpha beta-tubulin at 3.5 A resolution
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12. Landry, RC; Klimowicz, AC; Lavictoire, SJ; Borisova, S; Kottachchi, DT; Lorimer, IAJ; Evans, SV
    Antibody recognition of a conformational epitope in a peptide antigen: Fv-peptide complex of an antibody fragment specific for the mutant EGF receptor, EGFRvIII
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13. van Vlijmen, HWT; Karplus, M
    Normal mode analysis of large systems with icosahedral symmetry: Application to (Dialanine)(60) in full and reduced basis set implementations
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14. Poulas, K; Eliopoulos, E; Vatzaki, E; Navaza, J; Kontou, M; Oikonomakos, N; Acharya, KR; Tzartos, SJ
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    EUROPEAN JOURNAL OF BIOCHEMISTRY
    
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15. Eisenmenger, F; Hansmann, UHE; Hayryan, S; Hu, CK
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16. Benson, TE; Harris, MS; Choi, GH; Cialdella, JI; Herberg, JT; Martin, JP; Baldwin, ET
    A structural variation for MurB: X-ray crystal structure of Staphylococcusaureus UDP-N-acetylenolpyruvylglucosamine reductase (MurB)
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17. Zwieb, C; Guven, SA; Wower, IK; Wower, J
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18. Pan, YH; Epstein, TM; Jain, MK; Bahnson, BJ
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19. Relkin, P; Kamyshny, A; Magdassi, S
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20. Shi, HJ; Moore, PB
    The crystal structure of yeast phenylalanine tRNA at 1.93 angstrom resolution: A classic structure revisited
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21. Benas, P; Bec, G; Keith, G; Marquet, R; Ehresmann, C; Ehresmann, B; Dumas, P
    The crystal structure of HIV reverse-transcription primer tRNA(Lys,3) shows a canonical anticodon loop
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22. Jiang, SL; Vakser, IA
    Side chains in transmembrane helices are shorter at helix-helix interfaces
    PROTEINS-STRUCTURE FUNCTION AND GENETICS
    
    S.L. Jiang e I.A. Vakser, "Side chains in transmembrane helices are shorter at helix-helix interfaces", PROTEINS, 40(3), 2000, pp. 429-435
23. Sajot, N; Genest, M
    Structure prediction of the dimeric neu/ErbB-2 transmembrane domain from multi-nanosecond molecular dynamics simulations
    EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
    
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24. Son, HS; Kerr, ID; Sansom, MSP
    Simulation studies on bacteriorhodopsin bundle of transmembrane alpha segments
    EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
    
    H.S. Son et al., "Simulation studies on bacteriorhodopsin bundle of transmembrane alpha segments", EUR BIOPHYS, 28(8), 2000, pp. 663-673
25. Son, HS; Sansom, MSP
    Simulation studies on bacteriorhodopsin alpha-helices
    EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS
    
    H.S. Son e M.S.P. Sansom, "Simulation studies on bacteriorhodopsin alpha-helices", EUR BIOPHYS, 28(8), 2000, pp. 674-682
26. Nogi, T; Fathir, I; Kobayashi, M; Nozawa, T; Miki, K
    Crystal structures of photosynthetic reaction center and high-potential iron-sulfur protein from Thermochromatium tepidum: Thermostability and electron transfer
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
    
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27. Lin, TW; Clark, AJ; Chen, ZG; Shanks, M; Dai, JB; Li, Y; Schmidt, T; Oxelfelt, P; Lomonossoff, GP; Johnson, JE
    Structural fingerprinting: Subgrouping of comoviruses by structural studies of red clover mottle virus to 2.4-angstrom resolution and comparisons with other comoviruses
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28. Guddat, LW; Shan, L; Broomell, C; Ramsland, PA; Fan, ZC; Anchin, JM; Linthicum, DS; Edmundson, AB
    The three-dimensional structure of a complex of a murine Fab (NC10.14) with a potent sweetener (NC174): An illustration of structural diversity in antigen recognition by immunoglobulins
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29. Kleinjung, J; Petit, MC; Orlewski, P; Mamalaki, A; Tzartos, SJ; Tsikaris, V; Sakarellos-Daitsiotis, M; Sakarellos, C; Marraud, M; Cung, MT
    The third-dimensional structure of the complex between an Fv antibody fragment and an analogue of the main immunogenic region of the acetylcholine receptor: A combined two-dimensional NMR, homology, and molecular modeling approach
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30. Waddling, CA; Plummer, TH; Tarentino, AL; Van Roey, P
    Structural basis for the substrate specificity of endo-beta-N-acetylglucosaminidase F-3
    BIOCHEMISTRY
    
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31. van Vlijmen, HWT; Karplus, M
    Analysis of calculated normal modes of a set of native and partially unfolded proteins
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32. Fischmann, TO; Hruza, A; Niu, XD; Fossetta, JD; Lunn, CA; Dolphin, E; Prongay, AJ; Reichert, P; Lundell, DJ; Narula, SK; Weber, PC
    Structural characterization of nitric oxide synthase isoforms reveals striking active-site conservation
    NATURE STRUCTURAL BIOLOGY
    
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33. Stanfield, RL; Cabezas, E; Satterthwait, AC; Stura, EA; Profy, AT; Wilson, IA
    Dual conformations for the HIV-1 gp120 V3 loop in complexes with differentneutralizing Fabs
    STRUCTURE WITH FOLDING & DESIGN
    
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34. Bowie, JU
    Helix-bundle membrane protein fold templates
    PROTEIN SCIENCE
    
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35. Pasternak, A; Ringe, D; Hedstrom, L
    Comparison of anionic and cationic trypsinogens: The anionic activation domain is more flexible in solution and differs in its mode of BPTI binding in the crystal structure
    PROTEIN SCIENCE
    
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36. Kitao, A; Go, N
    Investigating protein dynamics in collective coordinate space
    CURRENT OPINION IN STRUCTURAL BIOLOGY
    
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37. Tsukihara, T; Lee, SJ
    Membrane proteins: structure and function
    JOURNAL OF SYNCHROTRON RADIATION
    
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38. Chaudhuri, BN; Kleywegt, GJ; Bjorkman, J; Lehman-McKeeman, LD; Oliver, JD; Jones, TA
    The structures of alpha(2u)-globulin and its complex with a hyaline droplet inducer
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39. Chen, Z; Blanc, E; Chapman, MS
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40. Ravichandran, S; Sen, U; Chakrabarti, C; Dattagupta, JK
    Cryocrystallography of a Kunitz-type serine protease inhibitor: the 90 K structure of winged bean chymotrypsin inhibitor (WCI) at 2.13 angstrom resolution
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41. Helland, R; Berglund, GI; Otlewski, J; Apostoluk, W; Andersen, OA; Willassen, NP; Smalas, AO
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42. Murshudov, GN; Vagin, AA; Lebedev, A; Wilson, KS; Dodson, EJ
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43. Ota, N; Stroupe, C; Ferreira-da-Silva, JMS; Shah, SA; Mares-Guia, M; Brunger, AT
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44. Schiffer, CA; van Gunsteren, WF
    Accessibility and order of water sites in and around proteins: A crystallographic time-averaging study
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45. Stevens, TJ; Arkin, IT
    Are membrane proteins "inside-out" proteins?
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46. Moont, G; Gabb, HA; Sternberg, MJE
    Use of pair potentials across protein interfaces in screening predicted docked complexes
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47. Badger, J; Kumar, RA; Yip, P; Szalma, S
    New features and enhancements in the X-PLOR computer program
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48. Cuff, JA; Barton, GJ
    Evaluation and improvement of multiple sequence methods for protein secondary structure prediction
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49. Zhu, YS; Huang, QC; Qian, MX; Jia, YS; Tang, YQ
    Crystal structure of the complex formed between bovine beta-trypsin and MCTI-A, a trypsin inhibitor of squash family, at 1.8-angstrom resolution
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50. Kojima, S; Takagi, N; Minagawa, T; Fushimi, N; Miura, K
    Effects of amino acid replacements around the reactive site of chicken ovomucoid domain 3 on the inhibitory activity toward chymotrypsin and trypsin
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51. Izard, T; Geerlof, A
    The crystal structure of a novel bacterial adenylyltransferase reveals half of sites reactivity
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52. Son, HS; Sansom, MSP
    Simulation of the packing of idealized transmembrane alpha-helix bundles
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53. Johnson, A; Gautham, N; Pattabhi, V
    Crystal structure at 1.63 angstrom resolution of the native form of porcine beta-trypsin: revealing an acetate ion binding site and functional water network
    BIOCHIMICA ET BIOPHYSICA ACTA-PROTEIN STRUCTURE AND MOLECULAR ENZYMOLOGY
    
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54. Harris, LJ; Larson, SB; McPherson, A
    Comparison of intact antibody structures and the implications for effectorfunction
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55. Sommerhoff, CP; Bode, W; Pereira, PJB; Stubbs, MT; Sturzebecher, J; Piechottka, GP; Matschiner, G; Bergner, A
    The structure of the human beta II-tryptase tetramer: Fo(u)r better or worse
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
    
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56. Auffinger, P; Westhof, E
    Singly and bifurcated hydrogen-bonded base-pairs in tRNA anticodon hairpins and ribozymes
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57. Arluison, V; Buckle, M; Grosjean, H
    Pseudouridine synthetase Pus1 of Saccharomyces cerevisiae: Kinetic characterisation, tRNA structural requirement and real-time analysis of its complex with tRNA
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58. Hansen, S; Vollan, VB; Hough, E; Andersen, K
    The crystal structure of rubisco from Alcaligenes eutrophus reveals a novel central eight-stranded beta-barrel formed by beta-strands from four subunits
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59. Wan, WY; Milner-White, EJ
    A natural grouping of motifs with an aspartate or asparagine residue forming two hydrogen bonds to residues ahead in sequence: Their occurrence at alpha-helical N termini and in other situations
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60. Miller, DW; Agard, DA
    Enzyme specificity under dynamic control: A normal mode analysis of alpha-lytic protease
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61. Frazer-Abel, AA; Hagerman, PJ
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62. Schlick, T; Skeel, RD; Brunger, AT; Kale, LV; Board, JA; Hermans, J; Schulten, K
    Algorithmic challenges in computational molecular biophysics
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63. Kishi, A; Kato, M; Shimizu, T; Kato, K; Matsumoto, K; Yoshida, S; Shiosaka, S; Hakoshima, T
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64. Sekine, S; Nureki, O; Tateno, M; Yokoyama, S
    The identity determinants required for the discrimination between tRNA(Glu) and tRNA(Asp) by glutamyl-tRNA synthetase from Escherichia coli
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65. Vojtechovsky, J; Chu, K; Berendzen, J; Sweet, RM; Schlichting, I
    Crystal structures of myoglobin-ligand complexes at near-atomic resolution
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66. Raja, SM; Rawat, SS; Chattopadhyay, A; Lala, AK
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