新規登録 | ログイン | FAQ      [?] 
Recent | Unread | Search | Authors | Tags | Export

ucbcjbm no-tag [202 articles]

最近 ucbcjbm さんのライブラリに追加された論文の中から タグ no-tag. You can also see everyone's no-tag.
  • MACiE (Mechanism, Annotation and Classification in Enzymes): novel tools for searching catalytic mechanisms
    Nucleic Acids Research, Vol. 35, No. Database Issue. (2007), pp. D515-D520.
    by Gemma L Holliday, Daniel E Almonacid, Gail J Bartlett, Noel M O'Boyle, James W Torrance, Peter Murray-Rust, John BO Mitchell, Janet M Thornton
    posted to no-tag by ucbcjbm on 2008-10-06 13:45:55 as read
  • High precision multi-genome scale reannotation of enzyme function by EFICAz
    BMC Genomics, Vol. 7 (13 December 2006), 315.
    by Adrian K Arakaki, Weidong Tian, Jeffrey Skolnick
    posted to no-tag by ucbcjbm on 2008-10-06 13:37:37 as read along with 5 people shung kiko2007 Pdarsen annotator_2006 ramensky
  • Accurate Solubility Prediction with Error Bars for Electrolytes: A Machine Learning Approach
    J. Chem. Inf. Model., Vol. 47, No. 2. (26 March 2007), pp. 407-424.
    by A Schwaighofer, T Schroeter, S Mika, J Laub, A Terlaak, D Sulzle, U Ganzer, N Heinrich, KR Muller
    posted to no-tag by ucbcjbm on 2008-10-06 13:36:28 as read
  • Estimation of pKa for Druglike Compounds Using Semiempirical and Information-Based Descriptors
    J. Chem. Inf. Model., Vol. 47, No. 2. (26 March 2007), pp. 450-459.
    by S Jelfs, P Ertl, P Selzer
    posted to no-tag by ucbcjbm on 2008-10-06 13:35:21 as **
  • Random Forest Prediction of Mutagenicity from Empirical Physicochemical Descriptors
    J. Chem. Inf. Model., Vol. 47, No. 1. (22 January 2007), pp. 1-8.
    by QY Zhang, J Aires-De-Sousa
    posted to no-tag by ucbcjbm on 2008-10-06 13:34:31 as read
  • Bias in random forest variable importance measures: Illustrations, sources and a solution
    BMC Bioinformatics, Vol. 8 (25 January 2007), 25.
    by Carolin Strobl, Anne-Laure Boulesteix, Achim Zeileis, Torsten Hothorn
    posted to no-tag by ucbcjbm on 2008-10-06 13:21:31 as read along with 4 people jyuh neteler jfr rabio
  • Relating protein pharmacology by ligand chemistry
    Nature Biotechnology, Vol. 25, No. 2. (07 February 2007), pp. 197-206.
    by Michael J Keiser, Bryan L Roth, Blaine N Armbruster, Paul Ernsberger, John J Irwin, Brian K Shoichet
    posted to no-tag by ucbcjbm on 2008-10-06 13:20:23 as read along with 7 people Yanno tjimenez kuhn daevans massivemayhem dgront jerome_ucsf_slb
  • A century of dissolution research: From Noyes and Whitney to the Biopharmaceutics Classification System.
    Int J Pharm (15 July 2006)
    by Aristides Dokoumetzidis, Panos Macheras
    posted to no-tag by ucbcjbm on 2008-10-06 13:19:22 as read
  • Antimicrobial, resistance-modifying effects, antioxidant and free radical scavenging activities of <I>Mezoneuron benthamianum</I> Baill., <I>Securinega virosa</I> Roxb. &Wlld. and <I>Microglossa pyrifolia</I> Lam.
    Phytotherapy Research, Vol. 20, No. 1. (2006), pp. 41-45.
    by RA Dickson, PJ Houghton, PJ Hylands, S Gibbons
    posted to no-tag by ucbcjbm on 2008-10-06 13:18:09 as read
  • kScore: a novel machine learning approach that is not dependent on the data structure of the training set
    Journal of Computer-Aided Molecular Design, Vol. 21, No. 1-3. (January 2007), pp. 87-95.
    by Oloff, Scott, Muegge, Ingo
    posted to no-tag by ucbcjbm on 2008-10-06 13:08:12 as read
  • QSPR Prediction of Aqueous Solubility of Drug-Like Organic Compounds
    CHEMICAL and PHARMACEUTICAL BULLETIN, Vol. 55, No. 4. (2007), pp. 669-674.
    by Jahanbakhsh Ghasemi, Saadi Saaidpour
    posted to no-tag by ucbcjbm on 2008-10-06 13:04:57 as read
  • Ribosome-mediated Folding of Partially Unfolded Ricin A-chain
    J. Biol. Chem., Vol. 275, No. 13. (24 March 2000), pp. 9263-9269.
    by Richard H Argent, Andrew M Parrott, Philip J Day, Lynne M Roberts, Peter G Stockley, Michael J Lord, Sheena E Radford
    posted to no-tag by ucbcjbm on 2008-10-06 12:58:17 as ***
  • Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
    J. Phys. Chem. A, Vol. 101, No. 28. (10 July 1997), pp. 5111-5116.
    by DJ Wales, JPK Doye
    posted to no-tag by ucbcjbm on 2008-09-30 14:32:58 as ***
  • A 3D similarity method for scaffold hopping from known drugs or natural ligands to new chemotypes.
    J Med Chem, Vol. 47, No. 25. (2 December 2004), pp. 6144-6159.
    by JL Jenkins, M Glick, JW Davies
    posted to no-tag by ucbcjbm on 2008-09-30 12:44:30 as read along with 2 people and 2 groups jerome sangeetha Bioinformatics insilicodrug
  • Trannulenes with ldquoIn-Planerdquo Aromaticity: Candidates for Harvesting Light Energy13
    Angewandte Chemie International Edition, Vol. 44, No. 21. (2005), pp. 3176-3178.
    by Glenn A Burley
    posted to no-tag by ucbcjbm on 2008-09-30 12:43:44 as read
  • Explicitly correlated local second-order perturbation theory with a frozen geminal correlation factor
    The Journal of Chemical Physics, Vol. 124, No. 9. (2006)
    by Frederick R Manby, Hans J Werner, Thomas B Adler, Andrew J May
    posted to no-tag by ucbcjbm on 2008-09-30 12:43:06 as read
  • Could Humans Recognize Odor by Phonon Assisted Tunneling?
    Physical Review Letters, Vol. 98, No. 3. (2007)
    by Jennifer C Brookes, Filio Hartoutsiou, AP Horsfield, AM Stoneham
    posted to no-tag by ucbcjbm on 2008-09-30 12:42:16 as read along with 3 people and 1 group samjlord ibschwartz jyvaishnav moernerlab
  • On the Unpredictability of Odor
    Angewandte Chemie International Edition, Vol. 45, No. 38. (2006), pp. 6254-6261.
    by CS Sell
    posted to no-tag by ucbcjbm on 2008-09-30 12:41:33 as read
  • Leveraging enzyme structure-function relationships for functional inference and experimental design: the structure-function linkage database.
    Biochemistry, Vol. 45, No. 8. (28 February 2006), pp. 2545-2555.
    by SC Pegg, SD Brown, S Ojha, J Seffernick, EC Meng, JH Morris, PJ Chang, CC Huang, TE Ferrin, PC Babbitt
    posted to no-tag by ucbcjbm on 2008-09-30 12:40:13 as read along with 4 people kuhn tny jdiggans sim82
  • Distributed Multipole Analysis: Stability for Large Basis Sets
    J. Chem. Theory Comput., Vol. 1, No. 6. (8 November 2005), pp. 1128-1132.
    by AJ Stone
    posted to no-tag by ucbcjbm on 2008-09-30 12:39:32 as read
  • Distributed polarizabilities obtained using a constrained density-fitting algorithm
    The Journal of Chemical Physics, Vol. 124, No. 2. (2006)
    by Alston J Misquitta, Anthony J Stone
    posted to no-tag by ucbcjbm on 2008-09-30 12:39:06 as read along with 1 person maaren
  • The Generation of New Protein Functions by the Combination of Domains
    Structure, Vol. 15, No. 1. (January 2007), pp. 85-99.
    by Matthew Bashton, Cyrus Chothia
    posted to no-tag by ucbcjbm on 2008-09-30 12:38:12 as read along with 6 people and 1 group Einat tny madhadron choonpeng cjeans bioinfolib structural_bioinformatics
  • The geometry of interactions between catalytic residues and their substrates.
    J Mol Biol, Vol. 369, No. 4. (15 June 2007), pp. 1140-1152.
    by JW Torrance, GL Holliday, JB Mitchell, JM Thornton
    posted to no-tag by ucbcjbm on 2008-09-30 12:36:21 as read along with 3 people grottenolm jwm gemmalholliday
  • A Toxicogenomic Approach to Drug-Induced Phospholipidosis: Analysis of Its Induction Mechanism and Establishment of a Novel in Vitro Screening System
    Toxicological Sciences, Vol. 83, No. 2., 282.
    by Hiroshi Sawada, Kenji Takami, Satoru Asahi
    posted to no-tag by ucbcjbm on 2008-09-30 12:34:44 as read
  • ADMET IN SILICO MODELLING: TOWARDS PREDICTION PARADISE?
    Nat Rev Drug Discov, Vol. 2, No. 3. (March 2003), pp. 192-204.
    by Han van de Waterbeemd, Eric Gifford
    posted to no-tag by ucbcjbm on 2008-09-30 12:33:48 as read along with 1 person nicklynch
  • A Computational Model for the Prediction of Aqueous Solubility That Includes Crystal Packing, Intrinsic Solubility, and Ionization Effects
    Mol. Pharmaceutics, Vol. 4, No. 4. (6 August 2007), pp. 513-523.
    by SR Johnson, XQ Chen, D Murphy, O Gudmundsson
    posted to no-tag by ucbcjbm on 2008-09-30 12:32:48 as read
  • In Silico Prediction of Drug Solubility. 3. Free Energy of Solvation in Pure Amorphous Matter
    J. Phys. Chem. B, Vol. 111, No. 25. (28 June 2007), pp. 7303-7311.
    by K Luder, L Lindfors, J Westergren, S Nordholm, R Kjellander
    posted to no-tag by ucbcjbm on 2008-09-30 12:23:18 as read
  • In Silico Prediction of Drug Solubility: 1. Free Energy of Hydration
    J. Phys. Chem. B, Vol. 111, No. 7. (22 February 2007), pp. 1872-1882.
    by J Westergren, L Lindfors, T Hoglund, K Luder, S Nordholm, R Kjellander
    posted to no-tag by ucbcjbm on 2008-09-30 12:22:18 as read
  • In Silico Prediction of Drug Solubility: 2. Free Energy of Solvation in Pure Melts
    J. Phys. Chem. B, Vol. 111, No. 7. (22 February 2007), pp. 1883-1892.
    by K Luder, L Lindfors, J Westergren, S Nordholm, R Kjellander
    posted to no-tag by ucbcjbm on 2008-09-30 12:21:43 as read
  • Computational protein folding: From lattice to all-atom
    IBM Systems Journal, Vol. 40, No. 2. (2001), pp. 297-309.
    by Y Duan, PA Kollman
    posted to no-tag by ucbcjbm on 2008-09-30 12:19:28 as **
  • Stretching lattice models of protein folding.
    Proceedings of the National Academy of Sciences of the United States of America, Vol. 96, No. 5. (2 March 1999), pp. 2031-2035.
    by ND Socci, JN Onuchic, PG Wolynes
    posted to no-tag by ucbcjbm on 2008-09-30 12:14:32 as **
  • How does a protein fold?
    Nature, Vol. 369, No. 6477. (19 May 1994), pp. 248-251.
    by A Sali, E Shakhnovich, M Karplus
    posted to no-tag by ucbcjbm on 2008-09-30 12:12:03 as read along with 2 people and 2 groups barry evaf structural_bioinformatics Bioinformatics
  • Atomic level description of the protecting effect of osmolytes against thermal denaturation of proteins
    Chemical Physics Letters, Vol. 438, No. 4-6. (20 April 2007), pp. 298-303.
    by Stefano Pieraccini, Luigi Burgi, Alessandro Genoni, Anna Benedusi, Maurizio Sironi
    posted to no-tag by ucbcjbm on 2008-09-19 14:36:44 as read
  • Quantitative structure-pharmacokinetic relationships for drug clearance by using statistical learning methods
    Journal of Molecular Graphics and Modelling, Vol. 24, No. 5. (March 2006), pp. 383-395.
    by CW Yap, ZR Li, YZ Chen
    posted to no-tag by ucbcjbm on 2008-09-19 14:35:35 as read
  • A study on the influence of molecular properties in the psychoactivity of cannabinoid compounds
    Journal of Molecular Modeling, Vol. 11, No. 3. (17 June 2005), pp. 200-209.
    by Káthia M Honório, Albérico B da Silva
    posted to no-tag by ucbcjbm on 2008-09-19 14:33:54 as read
  • Using support vector classification for SAR of fentanyl derivatives<sup>1</sup>
    Acta Pharmacologica Sinica, Vol. 26, No. 1. (2005), pp. 107-112.
    by DONG Ning, LU Wen-Cong, CHEN Nian-Yi, ZHU You-Cheng, CHEN Kai-Xian
    posted to no-tag by ucbcjbm on 2008-09-19 14:33:16 as read
  • Classifying "kinase inhibitor-likeness" by using machine-learning methods.
    Chembiochem, Vol. 6, No. 3. (March 2005), pp. 558-566.
    by H Briem, J Günther
    posted to no-tag by ucbcjbm on 2008-09-19 14:32:26 as read along with 2 people kuhn hans228klavier
  • Site-specific Conformational Studies of Prion Protein (PrP) Amyloid Fibrils Revealed Two Cooperative Folding Domains within Amyloid Structure
    J. Biol. Chem., Vol. 282, No. 12. (23 March 2007), pp. 9090-9097.
    by Ying Sun, Leonid Breydo, Natallia Makarava, Qingyuan Yang, Olga V Bocharova, Ilia V Baskakov
    posted to no-tag by ucbcjbm on 2008-09-19 13:24:42 as **
  • Cotranslational protein folding--fact or fiction?
    Bioinformatics, Vol. 23, No. 13. (1 July 2007)
    by CM Deane, M Dong, FP Huard, BK Lance, GR Wood
    posted to no-tag by ucbcjbm on 2008-09-18 14:56:46 as *** along with 3 people cdeane Pao-Yang saunders
  • The mechanism for the reversible oxygen addition to heme. A theoretical CASPT2 study
    Chem. Commun., No. 30. (2007), pp. 3160-3162.
    by Jordi Ribas-Arino, Juan J Novoa
    posted to no-tag by ucbcjbm on 2008-09-18 10:31:40 as read
  • Drug-Induced Phospholipidosis: Are There Functional Consequences?
    Experimental Biology and Medicine, Vol. 226, No. 9. (1 October 2001), pp. 825-830.
    by Mark J Reasor, Sam Kacew
    posted to no-tag by ucbcjbm on 2008-09-18 10:28:48 as read along with 1 person viktor21614
  • Ultrafast shape recognition for similarity search in molecular databases
    Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 463, No. 2081. (May 2007), pp. 1307-1321.
    by Pedro J Ballester, Graham W Richards
    posted to no-tag by ucbcjbm on 2008-09-18 10:28:10 as read
  • On-the-Fly Selection of a Training Set for Aqueous Solubility Prediction
    Mol. Pharmaceutics, Vol. 4, No. 4. (6 August 2007), pp. 489-497.
    by H Zhang, HY Ando, L Chen, PH Lee
    posted to no-tag by ucbcjbm on 2008-09-18 10:26:40 as read
  • Predicting aqueous solubilities from aqueous free energies of solvation and experimental or calculated vapor pressures of pure substances
    The Journal of Chemical Physics, Vol. 119, No. 3. (2003), pp. 1661-1670.
    by Jason D Thompson, Christopher J Cramer, Donald G Truhlar
    posted to no-tag by ucbcjbm on 2008-09-18 10:23:44 as read
  • Structure-based activity prediction for an enzyme of unknown function
    Nature (01 July 2007)
    by Johannes C Hermann, Ricardo Marti-Arbona, Alexander A Fedorov, Elena Fedorov, Steven C Almo, Brian K Shoichet, Frank M Raushel
    posted to no-tag by ucbcjbm on 2008-09-18 10:22:53 as read along with 7 people aheilbut tjimenez daevans zwang pkolb kimicc ivke
  • Development of Reliable Aqueous Solubility Models and Their Application in Druglike Analysis
    J. Chem. Inf. Model. (15 June 2007)
    by J Wang, G Krudy, T Hou, W Zhang, G Holland, X Xu
    posted to no-tag by ucbcjbm on 2008-09-18 10:21:37 as read along with 1 person daevans
  • Survival of the fittest polymorph: how fast nucleater can lose to fast grower
    CrystEngComm, Vol. 9, No. 10. (2007), pp. 847-851.
    by Lian Yu
    posted to no-tag by ucbcjbm on 2008-09-18 10:18:10 as read
  • Graph-set and packing analysis of hydrogen-bonded networks in polyamide structures in the Cambridge Structural Database
    Acta Crystallographica Section B, Vol. 56, No. 5. (Oct 2000), pp. 857-871.
    by Samuel WD Motherwell, Gregory P Shields, Frank H Allen
    posted to no-tag by ucbcjbm on 2008-09-18 10:17:26 as read
  • Protein Superfamily Evolution and the Last Universal Common Ancestor (LUCA)
    Journal of Molecular Evolution
    by Juan AG Ranea, Antonio Sillero, Janet M Thornton, Christine A Orengo
    posted to no-tag by ucbcjbm on 2008-09-16 14:35:18 as read along with 5 people and 2 groups ana barry tny grottenolm jwm structural_bioinformatics Bioinformatics
  • Calculation of Attachment Energies and Relative Volume Growth Rates As an Aid to Polymorph Prediction
    Cryst. Growth Des., Vol. 5, No. 3. (4 May 2005), pp. 879-885.
    by DS Coombes, CRA Catlow, JD Gale, AL Rohl, SL Price
    posted to no-tag by ucbcjbm on 2008-09-16 14:33:56 as read
    • 注: このページを引用する時は次のURLでどうぞ: http://www.citeulike.org/user/ucbcjbm/tag/no-tag

    Result page: 1 2 3 4 5 Next RIS BibTeX
    CiteULike organises scholarly (or academic) papers or literature and provides bibliographic (which means it makes bibliographies) for universities and higher education establishments. It helps undergraduates and postgraduates. People studying for PhDs or in postdoctoral (postdoc) positions. The service is similar in scope to EndNote or RefWorks or any other reference manager like BibTeX, but it is a social bookmarking service for scientists and humanities researchers.