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superpyrins library [156 articles]

Neue Artikel in superpyrins ordered by to_read.
  • Structural diversity of G protein-coupled receptors and significance for drug discovery
    Nature Reviews Drug Discovery, Vol. 7, No. 4., pp. 339-357.
    by Malin C Lagerström, Helgi B Schiöth
    posted to gpcr by superpyrin on 2008-04-02 08:07:35 as ***** along with 2 people nprcrzy fernan
  • What Is a Knowledge Representation?
    AI Magazine, Vol. 14, No. 1. (1993), pp. 17-33.
    by Randall Davis, Howard E Shrobe, Peter Szolovits
    posted to artificial-intelligence knowledge-representation by superpyrin on 2008-03-25 11:12:07 as ***** along with 4 people hamish schaal midi1978 fheintz
  • Allosteric Modulation of G Protein–Coupled Receptors
    Annual Review of Pharmacology and Toxicology, Vol. 47 (2007), pp. 1-51.
    by Lauren T May, Katie Leach, Patrick M Sexton, Arthur Christopoulos
    posted to gpcr by superpyrin on 2007-05-30 11:33:58 as *****
  • Blood-brain barrier delivery
    Drug Discovery Today, Vol. 12, No. 1-2. (January 2007), pp. 54-61.
    by William M Pardridge
    posted to bbb by superpyrin on 2008-05-26 12:55:56 as **** along with 1 person psique
  • Molecular mechanisms of ligand binding, signaling, and regulation within the superfamily of G-protein-coupled receptors: molecular modeling and mutagenesis approaches to receptor structure and function.
    Pharmacol Ther, Vol. 103, No. 1. (July 2004), pp. 21-80.
    by K Kristiansen
    posted to gpcr by superpyrin on 2008-03-17 11:12:02 as **** along with 1 person fjc1
  • G-protein coupled receptor structure.
    Biochim Biophys Acta (10 October 2006)
    by Philip L L Yeagle, Arlene D D Albert
    posted to gpcr review by superpyrin on 2008-02-18 08:00:57 as **** along with 4 people and 1 group xdeupi gcaltabiano merj adamsdi LabCompMed
  • Towards predictive ligand design with free-energy based computational methods?
    Curr Med Chem, Vol. 13, No. 29. (2006), pp. 3583-3608.
    by N Foloppe, R Hubbard
    posted to binding by superpyrin on 2007-06-10 08:38:49 as ****
  • The Structure of Human Microsomal Cytochrome P450 3A4 Determined by X-ray Crystallography to 2.05-A Resolution
    J. Biol. Chem., Vol. 279, No. 37. (10 September 2004), pp. 38091-38094.
    by Jason K Yano, Michael R Wester, Guillaume A Schoch, Keith J Griffin, David C Stout, Eric F Johnson
    posted to 3a4 cytochrome by superpyrin on 2007-05-31 15:04:10 as ****
  • Crystal Structures of Human Cytochrome P450 3A4 Bound to Metyrapone and Progesterone
    Science, Vol. 305, No. 5684. (30 July 2004), pp. 683-686.
    by Pamela A Williams, Jose Cosme, Dijana M Vinkovic, Alison Ward, Hayley C Angove, Philip J Day, Clemens Vonrhein, Ian J Tickle, Harren Jhoti
    posted to 3a4 cytochrome by superpyrin on 2007-05-31 15:01:19 as ****
  • Multiple Sequential Steps Involved in the Binding of Inhibitors to Cytochrome P450 3A4
    J. Biol. Chem., Vol. 282, No. 9. (2 March 2007), pp. 6863-6874.
    by Emre M Isin, Peter F Guengerich
    posted to 3a4 cytochrome by superpyrin on 2007-05-31 14:54:18 as ****
  • The blood-brain barrier: an overview: structure, regulation, and clinical implications.
    Neurobiol Dis, Vol. 16, No. 1. (June 2004), pp. 1-13.
    by P Ballabh, A Braun, M Nedergaard
    posted to bbb by superpyrin on 2008-05-26 12:58:44 as *** along with 2 people josepe calvin
  • Cation-pi interactions involving aromatic amino acids.
    J Nutr, Vol. 137, No. 6 Suppl 1. (June 2007)
    by DA Dougherty
    posted to cation-pi nonbond by superpyrin on 2008-04-02 14:27:28 as *** along with 1 person netterpaladin
  • A Computational Study of Cation-Pi Interactions vs Salt Bridges in Aqueous Media: Implications for Protein Engineering
    J. Am. Chem. Soc., Vol. 122, No. 5. (9 February 2000), pp. 870-874.
    by JP Gallivan, DA Dougherty
    posted to cation-pi nonbond by superpyrin on 2008-04-02 14:08:14 as ***
  • Cation-pi interactions in structural biology
    PNAS, Vol. 96, No. 17. (17 August 1999), pp. 9459-9464.
    by Justin P Gallivan, Dennis A Dougherty
    posted to cation-pi nonbond by superpyrin on 2008-04-02 14:00:41 as *** along with 2 people medic0747 bicko
  • High-throughput electrophysiology: an emerging paradigm for ion-channel screening and physiology
    Nature Reviews Drug Discovery, Vol. 7, No. 4., pp. 358-368.
    by John Dunlop, Mark Bowlby, Ravikumar Peri, Dmytro Vasilyev, Robert Arias
    posted to herg ion-channel screening by superpyrin on 2008-04-02 08:31:41 as ***
  • First Principles Predictions of the Structure and Function of G-Protein-Coupled Receptors: Validation for Bovine Rhodopsin
    Biophys. J., Vol. 86, No. 4. (1 April 2004), pp. 1904-1921.
    by Rene J Trabanino, Spencer E Hall, Nagarajan Vaidehi, Wely B Floriano, Victor W Kam, William A Goddard
    posted to gpcr by superpyrin on 2008-02-18 07:42:11 as ***
  • Prediction of structure and function of G protein-coupled receptors.
    Proc Natl Acad Sci U S A, Vol. 99, No. 20. (1 October 2002), pp. 12622-12627.
    by N Vaidehi, WB Floriano, R Trabanino, SE Hall, P Freddolino, EJ Choi, G Zamanakos, WA Goddard
    posted to gpcr by superpyrin on 2008-02-18 07:38:42 as *** along with 2 people thaliana allanlo
  • Molecular mechanism of 7TM receptor activation--a global toggle switch model.
    Annu Rev Pharmacol Toxicol, Vol. 46 (2006), pp. 481-519.
    by TW Schwartz, TM Frimurer, B Holst, MM Rosenkilde, CE Elling
    posted to gpcr by superpyrin on 2008-02-12 16:12:19 as *** along with 1 person and 1 group xdeupi LabCompMed
  • Lead optimization via high-throughput molecular docking.
    Curr Opin Drug Discov Devel, Vol. 10, No. 3. (May 2007), pp. 264-274.
    by D Joseph-McCarthy, JC Baber, E Feyfant, DC Thompson, C Humblet
    posted to docking leadopt by superpyrin on 2007-07-22 13:37:02 as ***
  • Molecular modeling of hydration in drug design.
    Curr Opin Drug Discov Devel, Vol. 10, No. 3. (May 2007), pp. 275-280.
    by RL Mancera
    posted to docking hydration by superpyrin on 2007-07-22 13:35:36 as ***
  • Cytochrome p450 in silico: an integrative modeling approach.
    J Med Chem, Vol. 48, No. 8. (21 April 2005), pp. 2725-2755.
    by C de Graaf, NP Vermeulen, KA Feenstra
    posted to cytochrome p450 by superpyrin on 2007-07-17 13:18:46 as *** along with 1 person feenstra
  • Free energies of binding of R- and S-propranolol to wild-type and F483A mutant cytochrome P450 2D6 from molecular dynamics simulations.
    Eur Biophys J (27 February 2007)
    by Chris de Graaf, Chris Oostenbrink, Peter H Keizers, Barbara M van Vugt-Lussenburg, Jan N Commandeur, Nico P Vermeulen
    posted to 2d6 cytochrome by superpyrin on 2007-06-10 15:41:35 as ***
  • Physics-based methods for studying protein-ligand interactions.
    Curr Opin Drug Discov Devel, Vol. 10, No. 3. (May 2007), pp. 325-331.
    by N Huang, MP Jacobson
    posted to binding by superpyrin on 2007-06-10 08:40:27 as *** along with 1 person higueruelo
  • The hERG potassium channel as a therapeutic target
    Expert Opinion on Therapeutic Targets, Vol. 11 (2007), pp. 321-336.
    by Harry J Witchel‌
    posted to herg by superpyrin on 2007-06-04 13:30:03 as ***
  • Drug block of the hERG potassium channel: Insight from modeling.
    Proteins, Vol. 68, No. 2. (19 April 2007), pp. 568-580.
    by Phillip J J Stansfeld, Peter Gedeck, Martin Gosling, Brian Cox, John S S Mitcheson, Michael J J Sutcliffe
    posted to herg by superpyrin on 2007-06-04 13:09:16 as *** along with 1 person dimka
  • Reply to AIRisk
    by Bill Hibbard
    posted to artificial-intelligence by superpyrin on 2007-06-01 20:44:54 as ***
  • Cytochromes P450, Drugs, and Diseases
    Mol. Interv., Vol. 3, No. 4. (1 June 2003), pp. 194-204.
    by Peter F Guengerich
    posted to cytochrome by superpyrin on 2007-05-31 15:25:59 as ***
  • Predictive Models of CYP3A4 Heteroactivation: In Vitro-in Vivo Scaling and Pharmacophore Modeling
    J Pharmacol Exp Ther, Vol. 312, No. 3. (1 March 2005), pp. 926-937.
    by Ann-Charlotte Egnell, Brian J Houston, Scott C Boyer
    posted to 3a4 cytochrome by superpyrin on 2007-05-31 15:21:03 as ***
  • Development of CYP3A4 Inhibition Models: Comparisons of Machine-Learning Techniques and Molecular Descriptors
    J Biomol Screen, Vol. 10, No. 3. (1 April 2005), pp. 197-205.
    by Rieko Arimoto, Madhu-Ashni Prasad, Eric M Gifford
    posted to 3a4 cytochrome by superpyrin on 2007-05-31 15:16:16 as ***
  • Kinetics and Thermodynamics of Ligand Binding by Cytochrome P450 3A4
    J. Biol. Chem., Vol. 281, No. 14. (7 April 2006), pp. 9127-9136.
    by Emre M Isin, Peter F Guengerich
    posted to 3a4 cytochrome by superpyrin on 2007-05-31 15:07:54 as *** along with 1 person Tominator
  • Targets Looking for Drugs: A Multistep Computational Protocol for the Development of Structure-Based Pharmacophores and Their Applications for Hit Discovery
    J. Chem. Inf. Model. (23 October 2008)
    by Cristina Tintori, Valentina Corradi, Matteo Magnani, Fabrizio Manetti, Maurizio Botta
    posted to screening pharmacophore by superpyrin on 2008-11-11 09:48:38 as ** along with 1 person zimbo1
  • In Silico Prediction of Cytochrome P450 2D6 and 3A4 Inhibition Using Gaussian Kernel Weighted k-Nearest Neighbor and Extended Connectivity Fingerprints, Including Structural Fragment Analysis of Inhibitors versus Noninhibitors
    J. Med. Chem., Vol. 50, No. 3. (8 February 2007), pp. 501-511.
    by BF Jensen, C Vind, SB Padkjar, PB Brockhoff, HHF Refsgaard
    posted to 2d6 3a4 admet cytochrome p450 by superpyrin on 2008-06-19 14:38:30 as **
  • Drugs behave as substrates, inhibitors and inducers of human cytochrome P450 3A4.
    Current drug metabolism, Vol. 9, No. 4. (May 2008), pp. 310-322.
    by SF Zhou
    posted to 3a4 cytochrome induction p450 by superpyrin on 2008-06-05 11:20:19 as **
  • Evolution and function of the NR1I nuclear hormone receptor subfamily (VDR, PXR, and CAR) with respect to metabolism of xenobiotics and endogenous compounds.
    Current drug metabolism, Vol. 7, No. 4. (May 2006), pp. 349-365.
    by EJ Reschly, MD Krasowski
    posted to admet cytochrome induction p450 pxr by superpyrin on 2008-06-01 07:56:27 as **
  • Quorum-sensing signals indicate that cystic fibrosis lungs are infected with bacterial biofilms.
    Nature, Vol. 407, No. 6805. (12 October 2000), pp. 762-764.
    by PK Singh, AL Schaefer, MR Parsek, TO Moninger, MJ Welsh, EP Greenberg
    posted to cystic-fibrosis quorum-sensing by superpyrin on 2008-05-29 15:33:19 as ** along with 3 people mhucka CareyNadell bakakaj
  • P. aeruginosa quorum-sensing systems and virulence
    Current Opinion in Microbiology, Vol. 6, No. 1. (February 2003), pp. 56-60.
    by Roger S Smith, Barbara H Iglewski
    posted to cystic-fibrosis quorum-sensing by superpyrin on 2008-05-29 15:31:24 as **
  • Pseudomonas aeruginosa Quorum-Sensing Systems May Control Virulence Factor Expression in the Lungs of Patients with Cystic Fibrosis
    Infect. Immun., Vol. 70, No. 4. (1 April 2002), pp. 1783-1790.
    by David L Erickson, Ryan Endersby, Amanda Kirkham, Kent Stuber, Dolina D Vollman, Harvey R Rabin, Ian Mitchell, Douglas G Storey
    posted to cystic-fibrosis quorum-sensing by superpyrin on 2008-05-29 15:28:59 as **
  • Quorum sensing: cell-to-cell communication in bacteria.
    Annu Rev Cell Dev Biol, Vol. 21 (2005), pp. 319-346.
    by CM Waters, BL Bassler
    posted to quorum-sensing by superpyrin on 2008-05-27 15:52:35 as ** along with 4 people and 1 group margaritis BUiGEM CareyNadell dbikard BUiGEM
  • Bacterial quorum sensing: a new target for anti-infective immunotherapy.
    Expert opinion on biological therapy, Vol. 8, No. 6. (June 2008), pp. 719-724.
    by GF Kaufmann, J Park, KD Janda
    posted to quorum-sensing by superpyrin on 2008-05-27 15:47:10 as **
  • Discovery of a Quorum-Sensing Inhibitor of Drug-Resistant Staphylococcal Infections by Structure-Based Virtual Screening
    Mol Pharmacol, Vol. 73, No. 5. (1 May 2008), pp. 1578-1586.
    by Madanahally D Kiran, Nallini V Adikesavan, Oscar Cirioni, Andrea Giacometti, Carmela Silvestri, Giorgio Scalise, Roberto Ghiselli, Vittorio Saba, Fiorenza Orlando, Menachem Shoham, Naomi Balaban
    posted to quorum-sensing by superpyrin on 2008-05-27 15:37:46 as **
  • PXR, CAR and drug metabolism.
    Nature reviews. Drug discovery, Vol. 1, No. 4. (April 2002), pp. 259-266.
    by TM Willson, SA Kliewer
    posted to induction p450 pxr by superpyrin on 2008-05-27 12:59:29 as **
  • The identification of ligand features essential for PXR activation by pharmacophore modeling
    Journal of Chemical Information & Modeling, Vol. 45, No. 2. (2005), pp. 431-439.
    by D Schuster, T Langer
    posted to induction p450 pxr by superpyrin on 2008-05-27 12:55:43 as ** along with 1 person christoph_steinbeck
  • Regulation of P450 genes by liver-enriched transcription factors and nuclear receptors
    Biochimica et Biophysica Acta (BBA) - General Subjects, Vol. 1619, No. 3. (17 February 2003), pp. 223-234.
    by Taro E Akiyama, Frank J Gonzalez
    posted to induction p450 pxr by superpyrin on 2008-05-27 12:23:08 as **
  • Progress in Brain Penetration Evaluation in Drug Discovery and Development
    J Pharmacol Exp Ther, Vol. 325, No. 2. (1 May 2008), pp. 349-356.
    by Xingrong Liu, Cuiping Chen, Bill J Smith
    posted to bbb by superpyrin on 2008-05-26 12:31:20 as **
  • A Continuum Method for Determining Membrane Protein Insertion Energies and the Problem of Charged Residues
    J. Gen. Physiol. (12 May 2008), jgp.200809959.
    by Seungho Choe, Karen A Hecht, Michael Grabe
    posted to folding membrane-protein by superpyrin on 2008-05-26 11:57:24 as ** along with 1 person and 1 group sobolevnrm baker-group
  • A Thermodynamic Guide to Affinity Optimization of Drug Candidates
    Proteomics and Protein-Protein Interactions (2005), pp. 291-307.
    by Ernesto Freire
    posted to binding selectivity by superpyrin on 2008-05-22 12:20:09 as **
  • A computational tool to optimize ligand selectivity between two similar biomacromolecular targets
    Journal of Computer-Aided Molecular Design, Vol. 19, No. 2. (28 February 2005), pp. 69-82.
    by Deliang L Chen, Glen E Kellogg
    posted to binding selectivity by superpyrin on 2008-05-22 12:13:16 as **
  • Overcoming Undesirable hERG Potency of Chemokine Receptor Antagonists Using Baseline Lipophilicity Relationships
    J. Med. Chem., Vol. 51, No. 5. (13 March 2008), pp. 1162-1178.
    by Igor Shamovsky, Stephen Connolly, Laurent David, Svetlana Ivanova, Bo Nordén, Brian Springthorpe, Klaus Urbahns
    posted to herg lipophilicity by superpyrin on 2008-05-22 08:37:19 as **
  • Prediction of membrane-protein topology from first principles
    Proceedings of the National Academy of Sciences, Vol. 105, No. 20. (20 May 2008), pp. 7177-7181.
    by Andreas Bernsel, Hakan Viklund, Jenny Falk, Erik Lindahl, Gunnar von Heijne, Arne Elofsson
    posted to membrane-protein by superpyrin on 2008-05-22 08:21:36 as ** along with 2 people and 1 group druvus sobolevnrm baker-group
  • An Intuitive Look at the Relationship of Ki and IC50: A More General Use for the Dixon Plot
    Journal of Chemical Education, Vol. 80 (February 2003), 214.
    by BT Burlingham, TS Widlanski
    posted to binding by superpyrin on 2008-05-21 11:51:21 as **
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