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Lombardo_7s library [84 articles]

Neue Artikel in Lombardo_7s Bibliothek.
  • Understanding organofluorine chemistry. An introduction to the C-F bond.
    Chemical Society reviews, Vol. 37, No. 2. (February 2008), pp. 308-319.
    by D O'Hagan
    posted to fluorine_project by Lombardo_7 on 2008-12-02 16:57:15 as ** along with 1 person allmensch
  • Molecular Self-Recognition: Rotational Spectra of the Dimeric 2-Fluoroethanol Conformers
    Chemistry - A European Journal, Vol. 9999, No. 9999. (2008), NA.
    by Xunchen Liu, Nicole Borho, Yunjie Xu
    posted to qm fluorine_project by Lombardo_7 on 2008-12-02 14:19:27 as **
  • Theory and applications of the generalized born solvation model in macromolecular simulations
    Biopolymers, Vol. 56, No. 4. (4 December 2001), pp. 275-291.
    by Vickie Tsui, David A Case
    posted to no-tag by Lombardo_7 on 2008-12-02 13:38:45 as ** along with 2 people ttjoseph RamuAnandakrishnan
  • An AMBER/DYANA/MOLMOL Phosphorylated Amino Acid Library Set and Incorporation into NMR Structure Calculations
    Journal of Biomolecular NMR, Vol. 33, No. 1. (September 2005), pp. 15-24.
    by John Craft, Glen Legge
    posted to md fluorine_project by Lombardo_7 on 2008-12-02 12:41:40 as **
  • Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins
    Journal of Computational Chemistry, Vol. 16, No. 11. (1995), pp. 1357-1377.
    by Piotr Cieplak, Wendy D Cornell, Christopher Bayly, Peter A Kollman
    posted to md fluorine_project by Lombardo_7 on 2008-12-02 12:39:11 as ** along with 3 people easybakemuffin RamuAnandakrishnan AndreaColetta
  • General atomic and molecular electronic structure system
    J. Comput. Chem., Vol. 14, No. 11. (November 1993), pp. 1347-1363.
    by Michael W Schmidt, Kim K Baldridge, Jerry A Boatz, Steven T Elbert, Mark S Gordon, Jan H Jensen, Shiro Koseki, Nikita Matsunaga, Kiet A Nguyen, Shujun Su, Theresa L Windus, Michel Dupuis, John A Montgomery
    posted to qm fluorine_project by Lombardo_7 on 2008-12-02 12:29:01 as ** along with 3 people papatonyhill kimikazu DanHickstein
  • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    Phys. Rev. B, Vol. 37 (January 1988), pp. 785-789.
    by C Lee, W Yang, RG Parr
    posted to qm fluorine_project by Lombardo_7 on 2008-12-02 12:28:00 as **
  • Density-functional exchange-energy approximation with correct asymptotic behavior.
    Physical review. A, Vol. 38, No. 6. (15 September 1988), pp. 3098-3100.
    by AD Becke
    posted to qm fluorine_project by Lombardo_7 on 2008-12-02 12:26:15 as ** along with 1 person A_Coletta_Thesis
  • Density-functional thermochemistry. III. The role of exact exchange
    The Journal of Chemical Physics, Vol. 98, No. 7. (1993), pp. 5648-5652.
    by Axel D Becke
    posted to qm fluorine_project by Lombardo_7 on 2008-12-02 12:18:29 as ** along with 1 person A_Coletta_Thesis
  • Note on an Approximation Treatment for Many-Electron Systems
    Physical Review, Vol. 46, No. 7. (1 October 1934), 618.
    by Chr Møller, MS Plesset
    posted to qm fluorine_project by Lombardo_7 on 2008-12-02 12:14:15 as ** along with 1 person and 1 group arlam group
  • The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
    Molecular Physics, Vol. 19, No. 4. (1970), pp. 553-566.
    by SF Boys, F Bernardi
    posted to qm fluorine_project by Lombardo_7 on 2008-12-01 09:31:52 as **
  • Molecular dynamics guided study of salt bridge length dependence in both fluorinated and non-fluorinated parallel dimeric coiled-coils
    Proteins: Structure, Function, and Bioinformatics, Vol. 9999, No. 9999. (2008), NA.
    by Scott S Pendley, Yihua B Yu, Thomas
    posted to fluorine_project by Lombardo_7 on 2008-11-27 14:41:14 as **
  • Φ-Values beyond the Ribosomally Encoded Amino Acids: Kinetic and Thermodynamic Consequences of Incorporating Trifluoromethyl Amino Acids in a Globular Protein
    Journal of the American Chemical Society, Vol. 125, No. 31. (2003), pp. 9286-9287.
    by Jia-Cherng Horng, Daniel P Raleigh
    posted to fluorine_project by Lombardo_7 on 2008-11-27 14:35:04 as **
  • 9-Fluoro-18-hydroxy-[3.3]metacyclophane: Synthesis and Estimation of a C-F···H-O Hydrogen Bond
    European Journal of Organic Chemistry, Vol. 2004, No. 9. (2004), pp. 2019-2024.
    by Hiroyuki Takemura, Masayuki Kotoku, Mikio Yasutake, Teruo Shinmyozu
    posted to hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 14:27:13 as **
  • Structural effects of fluorine substitution in proteins
    Journal of Computational Chemistry, Vol. 12, No. 2. (1991), pp. 180-185.
    by DH Gregory, JT Gerig
    posted to fluorine_project by Lombardo_7 on 2008-11-27 14:15:52 as **
  • Fluorous Effect in Proteins: De Novo Design and Characterization of a Four-α-Helix Bundle Protein Containing Hexafluoroleucine†
    Biochemistry, Vol. 43, No. 51. (1 December 2004), pp. 16277-16284.
    by Kyung-Hoon Lee, Hyang-Yeol Lee, Morris M Slutsky, James T Anderson, Marsh
    posted to fluorine_project by Lombardo_7 on 2008-11-27 14:14:56 as **
  • Self-Association and Membrane-Binding Behavior of Melittins Containing Trifluoroleucine
    Journal of the American Chemical Society, Vol. 123, No. 30. (2001), pp. 7407-7413.
    by Angelika Niemz, David A Tirrell
    posted to fluorine_project by Lombardo_7 on 2008-11-27 14:09:14 as **
  • Organic Fluorine: Odd Man Out
    ChemBioChem, Vol. 5, No. 5. (2004), pp. 614-621.
    by Jack D Dunitz
    posted to qm hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 14:06:16 as ** along with 1 person allmensch
  • Hydrogen Bonding Interactions of Covalently Bonded Fluorine Atoms: From Crystallographic Data to a New Angular Function in the GRID Force Field
    Journal of Medicinal Chemistry, Vol. 47, No. 21. (1 October 2004), pp. 5114-5125.
    by Emanuele Carosati, Simone Sciabola, Gabriele Cruciani
    posted to hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 14:04:15 as **
  • How C(alpha)-Fluoroalkyl amino acids and peptides interact with enzymes: studies concerning the influence on proteolytic stability, enzymatic resolution and peptide coupling.
    Current topics in medicinal chemistry, Vol. 6, No. 14. (2006), pp. 1483-1498.
    by R Smits, B Koksch
    posted to fluorine_project by Lombardo_7 on 2008-11-27 13:55:34 as **
  • Molecular Pair Analysis: C&bond;HsdotsdotsdotF Interactions in the Crystal Structure of Fluorobenzene? And Related Matters
    Chemistry - A European Journal, Vol. 12, No. 26. (2006), pp. 6804-6815.
    by Jack, Bernd W Schweizer
    posted to hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 13:45:37 as **
  • Conformational analysis of alpha-trifluoroalanine: a theoretical study
    Journal of Molecular Structure: THEOCHEM (September 2001), pp. 89-95.
    by AD Headley, SD Starnes
    posted to qm hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 13:24:54 as **
  • The C-FsdotsdotsdotH-C ldquoAnti-Hydrogen Bondrdquo in the Gas Phase: Microwave Structure of the Difluoromethane Dimer
    Angewandte Chemie International Edition, Vol. 38, No. 19. (1999), pp. 2924-2925.
    by Walther Caminati, Sonia Melandri, Paolo Moreschini, Paolo G Favero
    posted to fluorine_project by Lombardo_7 on 2008-11-27 13:22:53 as **
  • Trifluoromethyl Group: An Effective Xenobiotic Function for Peptide Backbone Modification
    ChemInform, Vol. 36, No. 16. (2005)
    by Matteo Zanda
    posted to fluorine_project by Lombardo_7 on 2008-11-27 13:18:19 as **
  • Fluorine substituent effects (on bioactivity)
    Journal of Fluorine Chemistry, Vol. 109, No. 1. (June 2001), pp. 3-11.
    by Bruce E Smart
    posted to fluorine_project by Lombardo_7 on 2008-11-27 13:16:13 as ** along with 1 person ivke
  • Hydrogen Bond Donor Properties of the Difluoromethyl Group
    The Journal of Organic Chemistry, Vol. 60, No. 6. (1 March 1995), pp. 1626-1631.
    by Jon A Erickson, Jim I Mcloughlin
    posted to qm hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 13:14:20 as **
  • Theoretical analysis of fluoroglycine conformers
    Journal of Computational Chemistry, Vol. 21, No. 6. (2000), pp. 426-431.
    by Allan D Headley, Stephen D Starnes
    posted to qm fluorine_project by Lombardo_7 on 2008-11-27 13:05:24 as **
  • Derivation of fluorine and hydrogen atom parameters using liquid simulations
    J. Comput. Chem., Vol. 13, No. 8. (1992), pp. 963-970.
    by Craig A Gough, Stephen E Debolt, Peter A Kollman
    posted to qm fluorine_project by Lombardo_7 on 2008-11-27 13:04:24 as **
  • Solute-Solvent Charge Transfer in Aqueous Solution
    ChemPhysChem, Vol. 6, No. 9. (2005), pp. 1715-1718.
    by Matteo D Peraro, Simone Raugei, Paolo Carloni, Michael L Klein
    posted to hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 13:01:06 as **
  • Fluorine in a Native Protein Environment - How the Spatial Demand and Polarity of Fluoroalkyl Groups Affect Protein Folding13
    Angewandte Chemie International Edition, Vol. 45, No. 25. (2006), pp. 4198-4203.
    by Christian Jäckel, Mario Salwiczek, Beate Koksch
    posted to fluorine_project by Lombardo_7 on 2008-11-27 12:57:52 as ** along with 1 person allmensch
  • Weak Hydrogen Bridges: A Systematic Theoretical Study on the Nature and Strength of C&bond;HsdotsdotsdotF&bond;C Interactions
    Chemistry - A European Journal, Vol. 10, No. 14. (2004), pp. 3411-3422.
    by Isabella Hyla-Kryspin, Günter Haufe, Stefan Grimme
    posted to qm hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 12:56:20 as **
  • On the nature of hydrogen bonds: an overview on computational studies and a word about patterns
    Phys. Chem. Chem. Phys., Vol. 9, No. 22. (2007), pp. 2782-2790.
    by Isabel Rozas
    posted to qm hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 12:53:28 as **
  • Theoretical Investigation of Hydrogen Bonds between CO and HNF2, H2NF, and HNO†
    The Journal of Physical Chemistry A, Vol. 110, No. 37. (2006), pp. 10805-10816.
    by An Y Li
    posted to qm hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 12:51:00 as **
  • Theoretical Calculation of Hydrogen-Bonding Strength for Drug Molecules
    Journal of Chemical Theory and Computation, Vol. 2, No. 3. (1 May 2006), pp. 863-872.
    by Ming-Hong Hao
    posted to qm hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 12:48:21 as **
  • Molecular torsion balances: evidence for favorable orthogonal dipolar interactions between organic fluorine and amide groups.
    Angew Chem Int Ed Engl, Vol. 46, No. 43. (2007), pp. 8270-8273.
    by FR Fischer, WB Schweizer, F Diederich
    posted to hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 12:46:37 as ** along with 1 person chgjb
  • Fluorine substitution and nonconventional OH[small pi] intramolecular bond: high-resolution UV spectroscopy and ab initio calculations of 2-(p-fluorophenyl)ethanol
    Phys. Chem. Chem. Phys., Vol. 10, No. 19. (2008), pp. 2852-2859.
    by Rosen Karaminkov, Sotir Chervenkov, Hans J Neusser
    posted to qm hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 12:42:43 as **
  • π-Systems as Simultaneous Hydride and Hydrogen Bond Acceptors
    The Journal of Physical Chemistry A, Vol. 112, No. 29. (1 July 2008), pp. 6753-6759.
    by Ibon Alkorta, Fernando Blanco, Jose Elguero
    posted to qm hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 12:38:38 as **
  • Red-, Blue-, or No-Shift in Hydrogen Bonds: A Unified Explanation
    J. Am. Chem. Soc., Vol. 129, No. 15. (18 April 2007), pp. 4620-4632.
    by J Joseph, ED Jemmis
    posted to qm hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 12:34:28 as ** along with 1 person januszc
  • Fast Calculation of van der Waals Volume as a Sum of Atomic and Bond Contributions and Its Application to Drug Compounds
    J. Org. Chem., Vol. 68, No. 19. (19 September 2003), pp. 7368-7373.
    by YH Zhao, MH Abraham, AM Zissimos
    posted to fluorine_project by Lombardo_7 on 2008-11-27 12:30:27 as **
  • N&bond;H?O, O&bond;H?O, and C&bond;H?O hydrogen bonds in protein-ligand complexes: Strong and weak interactions in molecular recognition
    Proteins: Structure, Function, and Bioinformatics, Vol. 54, No. 2. (2004), pp. 247-259.
    by Sanjay Sarkhel, Gautam R Desiraju
    posted to hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 12:28:37 as ** along with 2 people blackbart friendpine
  • Strong and weak hydrogen bonds in the protein-ligand interface.
    Proteins (5 January 2007)
    by Sunil K K Panigrahi, Gautam R R Desiraju
    posted to hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 12:27:26 as ** along with 3 people and 1 group BragilMassoud cat_worth friendpine structural_bioinformatics
  • Ab Initio Calculations on Conventional and Unconventional Hydrogen BondsStudy of the Hydrogen Bond Strength
    The Journal of Physical Chemistry A, Vol. 105, No. 47. (1 November 2001), pp. 10739-10746.
    by Slawomir J Grabowski
    posted to qm hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 12:25:18 as **
  • Insight into the role of hydration on protein dynamics
    The Journal of Chemical Physics, Vol. 125, No. 9. (2006)
    by Donald Hamelberg, Tongye Shen, Andrew J Mccammon
    posted to fluorine_project fep by Lombardo_7 on 2008-11-27 12:20:49 as **
  • Using quantum mechanics to improve estimates of amino acid side chain rotamer energies
    Proteins: Structure, Function, and Bioinformatics, Vol. 71, No. 4. (2008), pp. 1637-1646.
    by Douglas P Renfrew, Glenn L Butterfoss, Brian Kuhlman
    posted to fluorine_project by Lombardo_7 on 2008-11-27 12:16:04 as **
  • Study of the conformational profile of selected unnatural amino acid residues derived from <FONT SIZE='-2'>l</FONT>-phenylalanine
    Journal of Peptide Science, Vol. 5, No. 6. (1999), pp. 251-262.
    by Jesus Gomez-Catalan, Juan J Perez, Ana I Jimenez, Carlos Cativiela
    posted to fluorine_project by Lombardo_7 on 2008-11-27 12:13:08 as **
  • Investigation of Cation-&#x3c0; Interactions in Biological Systems
    J. Am. Chem. Soc. (29 August 2008)
    by Ronghu Wu, Terry B Mcmahon
    posted to fluorine_project by Lombardo_7 on 2008-11-27 12:11:08 as ** along with 3 people alexfuerstenberg paulschlesinger kevinchannon
  • Combined <I>ab initio</I>/empirical approach for optimization of Lennard-Jones parameters
    Journal of Computational Chemistry, Vol. 19, No. 3. (1998), pp. 334-348.
    by Daxu Yin, Alexander D Mackerell
    posted to fluorine_project by Lombardo_7 on 2008-11-27 12:07:51 as **
  • Comparison of some representative density functional theory and wave function theory methods for the studies of amino acids
    Journal of Computational Chemistry, Vol. 9999, No. 9999. (2008), NA.
    by Wenbo Yu, Lei Liang, Zijing Lin, Sanliang Ling, Maciej Haranczyk, Maciej Gutowski
    posted to qm fluorine_project by Lombardo_7 on 2008-11-27 12:02:08 as ** along with 1 person middledomain
  • Geometrical Preferences of the Hydrogen Bonds on Protein−Ligand Binding Interface Derived from Statistical Surveys and Quantum Mechanics Calculations
    Journal of Chemical Theory and Computation, Vol. 4, No. 11. (11 November 2008), pp. 1959-1973.
    by Zhiguo Liu, Guitao Wang, Zhanting Li, Renxiao Wang
    posted to hydrogen_bonds fluorine_project by Lombardo_7 on 2008-11-27 09:49:59 as **
  • A buried polar residue in the hydrophobic interface of the coiled-coil peptide, GCN4-p1, plays a thermodynamic, not a kinetic role in folding.
    J Mol Biol, Vol. 321, No. 1. (2 August 2002), pp. 1-6.
    by JA Knappenberger, JE Smith, SH Thorpe, JA Zitzewitz, CR Matthews
    posted to carsten by Lombardo_7 on 2008-08-13 13:27:32 as ** along with 1 person hplatero
    • Bemerkung: Sie können diese Seite wie folgt zitieren: http://www.citeulike.org/user/Lombardo_7

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