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bilab library [52 articles]

最近 bilab さんのライブラリ .
  • The Solvation Interface is a Determining Factor in Peptide Conformational Preferences
    Journal of Molecular Biology, Vol. 356, No. 1. (10 February 2006), pp. 248-256.
    by Eric J Sorin, Young M Rhee, Michael R Shirts, Vijay S Pande
    posted to folding by bilab on 2006-05-10 09:18:07 as **
  • Sub-microsecond Protein Folding
    Journal of Molecular Biology, Vol. In Press, Corrected Proof
    by Jan Kubelka, Thang K Chiu, David R Davies, William A Eaton, James Hofrichter
    posted to folding by bilab on 2006-05-02 11:34:52 as **
  • Reaction coordinates and rates from transition paths.
    Proc Natl Acad Sci U S A, Vol. 102, No. 19. (10 May 2005), pp. 6732-6737.
    by RB Best, G Hummer
    posted to folding by bilab on 2006-05-02 08:27:39 as ** along with 3 people apaydin mtw jlh64
  • Exploring reaction pathways with transition path and umbrella sampling: application to methyl maltoside.
    J Chem Phys, Vol. 124, No. 11. (21 March 2006)
    by RJ Dimelow, RA Bryce, AJ Masters, IH Hillier, NA Burton
    posted to function by bilab on 2006-05-02 08:26:42 as ** along with 1 person ruvido
  • In Silico Discovery of beta-Secretase Inhibitors.
    J Am Chem Soc, Vol. 128, No. 16. (26 April 2006), pp. 5436-5443.
    posted to function by bilab on 2006-05-02 08:24:02 as **
  • Network and graph analyses of folding free energy surfaces
    Current Opinion in Structural Biology, Vol. 16, No. 1. (February 2006), pp. 71-78.
    by Amedeo Caflisch
    posted to folding by bilab on 2006-05-02 08:23:26 as ** along with 4 people apaydin mtw jlh64 Diego_Prada
  • Coupled folding and binding with alpha-helix-forming molecular recognition elements.
    Biochemistry, Vol. 44, No. 37. (20 September 2005), pp. 12454-12470.
    by CJ Oldfield, Y Cheng, MS Cortese, P Romero, VN Uversky, AK Dunker
    posted to function by bilab on 2006-05-02 08:10:15 as **
  • Conformational Diversity of Ligands Bound to Proteins
    Journal of Molecular Biology, Vol. 356, No. 4. (3 March 2006), pp. 928-944.
    by Gareth R Stockwell, Janet M Thornton
    posted to docking by bilab on 2006-05-02 08:04:26 as ** along with 4 people BragilMassoud apaydin kuhn grottenolm
  • A method for localizing ligand binding pockets in protein structures.
    Proteins, Vol. 62, No. 2. (1 February 2006), pp. 479-488.
    posted to docking by bilab on 2006-05-02 08:03:08 as ** along with 3 people tjimenez nickolay sriram_s
  • Hot regions in protein--protein interactions: the organization and contribution of structurally conserved hot spot residues.
    J Mol Biol, Vol. 345, No. 5. (4 February 2005), pp. 1281-1294.
    by O Keskin, B Ma, R Nussinov
  • Evolutionary trace report maker: a new type of service for comparative analysis of proteins.
    Bioinformatics (27 April 2006)
    by I Mihalek, I Res, O Lichtarge
    posted to evolution by bilab on 2006-05-02 05:51:24 as ** along with 1 person BragilMassoud
  • Ribosome motions modulate electrostatic properties.
    Biopolymers, Vol. 74, No. 6. (15 August 2004), pp. 423-431.
    by J Trylska, R Konecny, F Tama, CL Brooks, JA McCammon
    posted to function by bilab on 2006-05-01 18:07:16 as ** along with 1 person and 1 group anita structure-bii
  • Symmetry, Form, and Shape: Guiding Principles for Robustness in Macromolecular Machines.
    Annu Rev Biophys Biomol Struct (13 January 2006)
    by Florence Tama, Charles L L Brooks Iii
    posted to function by bilab on 2006-05-01 18:06:05 as **
  • Hidden complexity of free energy surfaces for peptide (protein) folding.
    Proc Natl Acad Sci U S A, Vol. 101, No. 41. (12 October 2004), pp. 14766-14770.
    by SV Krivov, M Karplus
    posted to folding by bilab on 2006-05-01 18:05:43 as ** along with 4 people apaydin dimka Diego_Prada Fernando_FF
  • Folding of Ubiquitin: A Simple Model Describes the Strange Kinetics.
    J Phys Chem B Condens Matter Mater Surf Interfaces Biophys, Vol. 110, No. 17. (4 May 2006), pp. 8865-8869.
    by Sergei F Chekmarev, Sergei V Krivov, Martin Karplus
    posted to folding by bilab on 2006-05-01 17:59:19 as **
  • Molecular dynamics and protein function.
    Proc Natl Acad Sci U S A, Vol. 102, No. 19. (10 May 2005), pp. 6679-6685.
    posted to function by bilab on 2006-05-01 17:57:50 as ** along with 3 people apaydin allmensch RamuAnandakrishnan
  • De novo protein design: towards fully automated sequence selection.
    J Mol Biol, Vol. 273, No. 4. (7 November 1997), pp. 789-796.
    by BI Dahiyat, CA Sarisky, SL Mayo
    posted to design by bilab on 2006-05-01 17:53:49 as **
  • Engineered antibody Fc variants with enhanced effector function.
    Proc Natl Acad Sci U S A, Vol. 103, No. 11. (14 March 2006), pp. 4005-4010.
    by GA Lazar, W Dang, S Karki, O Vafa, JS Peng, L Hyun, C Chan, HS Chung, A Eivazi, SC Yoder, J Vielmetter, DF Carmichael, RJ Hayes, BI Dahiyat
    posted to function by bilab on 2006-05-01 17:44:41 as ** along with 1 person msuarezdiez
  • The burial of solvent-accessible surface area is a predictor of polypeptide folding and misfolding as a function of chain elongation.
    J Am Chem Soc, Vol. 127, No. 45. (16 November 2005), pp. 15690-15691.
    by N Kurt, S Cavagnero
    posted to design by bilab on 2006-05-01 12:39:29 as **
  • In quest of an empirical potential for protein structure prediction.
    Curr Opin Struct Biol (6 March 2006)
    by Jeffrey Skolnick
  • Ensemble versus single-molecule protein unfolding.
    Proc Natl Acad Sci U S A, Vol. 102, No. 38. (20 September 2005), pp. 13445-13450.
    by R Day, V Daggett
    posted to folding by bilab on 2006-05-01 12:34:46 as ** along with 2 people choonpeng hmk
  • The present view of the mechanism of protein folding.
    Nat Rev Mol Cell Biol, Vol. 4, No. 6. (June 2003), pp. 497-502.
    by V Daggett, A Fersht
  • Kinetic Definition of Protein Folding Transition State Ensembles and Reaction Coordinates.
    Biophys J (14 April 2006)
    by Christopher D D Snow, Young Min M Rhee, Vijay S S Pande
    posted to folding by bilab on 2006-05-01 12:29:36 as ** along with 1 person allmensch
  • Folding-based molecular simulations reveal mechanisms of the rotary motor F1-ATPase.
    Proc Natl Acad Sci U S A, Vol. 103, No. 14. (4 April 2006), pp. 5367-5372.
    by N Koga, S Takada
    posted to folding by bilab on 2006-05-01 12:26:34 as ** along with 1 person choonpeng
  • Molecular mechanism for stabilizing a short helical peptide studied by generalized-ensemble simulations with explicit solvent.
    Biophys J, Vol. 88, No. 5. (May 2005), pp. 3180-3190.
    by Y Sugita, Y Okamoto
    posted to folding by bilab on 2006-05-01 12:24:08 as ** along with 2 people jvf666 rulix
  • Protonation of the acidic residues in the transmembrane cation-binding sites of the ca(2+) pump.
    J Am Chem Soc, Vol. 127, No. 17. (4 May 2005), pp. 6150-6151.
    posted to function by bilab on 2006-05-01 12:22:36 as **
  • Atomically detailed description of the unfolding of alpha-lactalbumin by the combined use of experiments and simulations.
    J Mol Biol, Vol. 354, No. 1. (18 November 2005), pp. 164-172.
    posted to folding by bilab on 2006-05-01 12:20:37 as ** along with 1 person choonpeng
  • Native protein sequences are designed to destabilize folding intermediates.
    Biochemistry, Vol. 45, No. 8. (28 February 2006), pp. 2488-2492.
    by Y Isogai
    posted to design by bilab on 2006-05-01 12:18:31 as ** along with 1 person and 1 group nknii TCR_Signaling
  • GASH: an improved algorithm for maximizing the number of equivalent residues between two protein structures.
    BMC Bioinformatics, Vol. 6 (2005)
    by DM Standley, H Toh, H Nakamura
    posted to algorithm by bilab on 2006-05-01 12:15:23 as ** along with 1 person and 1 group caporaso biomedical-nlp
  • The inference of protein-protein interactions by co-evolutionary analysis is improved by excluding the information about the phylogenetic relationships.
    Bioinformatics, Vol. 21, No. 17. (1 September 2005), pp. 3482-3489.
    by T Sato, Y Yamanishi, M Kanehisa, H Toh
    posted to evolution by bilab on 2006-05-01 12:14:27 as ** along with 2 people bioinfo cjeans
  • The 3D profile method for identifying fibril-forming segments of proteins.
    Proc Natl Acad Sci U S A, Vol. 103, No. 11. (14 March 2006), pp. 4074-4078.
    posted to algorithm by bilab on 2006-05-01 12:13:52 as **
  • Atomic-level description of amyloid beta-dimer formation.
    J Am Chem Soc, Vol. 128, No. 7. (22 February 2006), pp. 2158-2159.
    posted to folding by bilab on 2006-05-01 12:11:11 as **
  • Simulating movement of tRNA into the ribosome during decoding.
    Proc Natl Acad Sci U S A, Vol. 102, No. 44. (1 November 2005), pp. 15854-15859.
    by KY Sanbonmatsu, S Joseph, CS Tung
    posted to function by bilab on 2006-05-01 12:09:47 as ** along with 2 people perrywoo ffranca
  • Physically realistic homology models built with ROSETTA can be more accurate than their templates.
    Proc Natl Acad Sci U S A, Vol. 103, No. 14. (4 April 2006), pp. 5361-5366.
    by KM Misura, D Chivian, CA Rohl, DE Kim, D Baker
    posted to prediction structure by bilab on 2006-05-01 12:08:50 as ** along with 4 people jwm balajis dgront BioNica
  • Generation of native-like protein structures from limited NMR data, modern force fields and advanced conformational sampling
    Journal of Biomolecular NMR, Vol. 31, No. 1. (January 2005), pp. 59-64.
    by Jianhan Chen, Hyung-Sik Won, Wonpil Im, H Dyson, Charles Brooks
  • Refinement of NMR structures using implicit solvent and advanced sampling techniques.
    J Am Chem Soc, Vol. 126, No. 49. (15 December 2004), pp. 16038-16047.
    by J Chen, W Im, CL Brooks
    posted to refinement by bilab on 2006-05-01 12:04:57 as ** along with 1 person baaden
  • GROMACS: fast, flexible, and free.
    J Comput Chem, Vol. 26, No. 16. (December 2005), pp. 1701-1718.
  • Molecular dynamics studies of the archaeal translocon.
    Biophys J (13 January 2006)
    by James C C Gumbart, Klaus Schulten
    posted to function by bilab on 2006-05-01 12:02:32 as ** along with 1 person ruudvanleeuwen
  • Scalable molecular dynamics with NAMD.
    J Comput Chem, Vol. 26, No. 16. (December 2005), pp. 1781-1802.
    by JC Phillips, R Braun, W Wang, J Gumbart, E Tajkhorshid, E Villa, C Chipot, RD Skeel, L Kalé, K Schulten
  • Folding Cooperativity in a Three-stranded beta-Sheet Model.
    J Mol Biol, Vol. 352, No. 2. (16 September 2005), pp. 370-381.
    by DR Roe, V Hornak, C Simmerling
    posted to folding by bilab on 2006-05-01 11:59:29 as ** along with 1 person fjc1
  • A multistep approach to structure-based drug design: studying ligand binding at the human neutrophil elastase.
    J Med Chem, Vol. 49, No. 6. (23 March 2006), pp. 1837-1844.
    posted to function by bilab on 2006-05-01 11:58:50 as **
  • All-atom structure prediction and folding simulations of a stable protein.
    J Am Chem Soc, Vol. 124, No. 38. (25 September 2002), pp. 11258-11259.
    posted to folding by bilab on 2006-05-01 11:56:09 as ** along with 2 people fjc1 allmensch
  • The Amber biomolecular simulation programs.
    J Comput Chem, Vol. 26, No. 16. (December 2005), pp. 1668-1688.
    by DA Case, TE Cheatham, T Darden, H Gohlke, R Luo, KM Merz, A Onufriev, C Simmerling, B Wang, RJ Woods
  • Effective function annotation through catalytic residue conservation.
    Proc Natl Acad Sci U S A (21 July 2005)
    by Richard A A George, Ruth V V Spriggs, Gail J J Bartlett, Alex Gutteridge, Malcolm W W Macarthur, Craig T T Porter, Bissan Al-Lazikani, Janet M M Thornton, Mark B B Swindells
  • An Analysis of Intron Positions in Relation to Nucleotides, Amino Acids, and Protein Secondary Structure.
    J Mol Biol (29 March 2006)
    by Gordon S S Whamond, Janet M M Thornton
    posted to evolution by bilab on 2006-05-01 11:52:55 as **
  • Ab initio molecular dynamics with discrete variable representation basis sets: techniques and application to liquid water.
    J Phys Chem A Mol Spectrosc Kinet Environ Gen Theory, Vol. 110, No. 16. (27 April 2006), pp. 5549-5560.
    by HS Lee, ME Tuckerman
    posted to algorithm by bilab on 2006-05-01 11:51:27 as **
  • Potentials of mean force for acetylcholine unbinding from the alpha7 nicotinic acetylcholine receptor ligand-binding domain [j. Am. Chem. Soc. 2006, 128, 3019-3026].
    J Am Chem Soc, Vol. 128, No. 13. (5 April 2006)
    posted to function by bilab on 2006-05-01 11:50:37 as **
  • Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models.
    Phys Rev Lett, Vol. 96, No. 8. (3 March 2006)
    posted to algorithm by bilab on 2006-05-01 11:49:51 as **
  • Electrostatic properties of cowpea chlorotic mottle virus and cucumber mosaic virus capsids.
    Biopolymers, Vol. 82, No. 2. (June 2006), pp. 106-120.
    by R Konecny, J Trylska, F Tama, D Zhang, NA Baker, CL Brooks, JA McCammon
    posted to function by bilab on 2006-05-01 11:48:59 as **
  • Balancing solvation and intramolecular interactions: toward a consistent generalized Born force field.
    J Am Chem Soc, Vol. 128, No. 11. (22 March 2006), pp. 3728-3736.
    by J Chen, W Im, CL Brooks
    posted to algorithm by bilab on 2006-05-01 11:48:15 as **
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