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softsimu's d20 [51 articles]

Recent papers added to softsimu's library classified by the tag d20. You can also see everyone's d20.
  • Quantum effects in the structure of water measured by gamma ray diffraction
    Chemical Physics, Vol. 109, No. 2-3. (15 November 1986), pp. 437-453.
    by JH Root, PA Egelstaff, A Hime
    posted to d20 h-bonds water by softsimu on 2008-04-09 04:22:04 as **
  • Hydrogen Bonding in Water
    Physical Review Letters, Vol. 91, No. 21. (20 November 2003), 215503.
    by Bin Chen, Ivaylo Ivanov, Michael L Klein, Michele Parrinello
    posted to d20 h-bonds water by softsimu on 2008-04-09 03:55:26 as **
  • Cooperative Hydrogen Bonds of Macromolecules. 3. A Model Study of the Proximity Effect
    J. Phys. Chem. B, Vol. 111, No. 22. (7 June 2007), pp. 6118-6126.
    by J Kriz, J Dybal
    posted to d20 h-bonds water by softsimu on 2008-04-08 22:20:23 as **
  • Hydration structure of human lysozyme investigated by molecular dynamics simulation and cryogenic X-ray crystal structure analyses: On the correlation between crystal water sites, solvent density, and solvent dipole
    Journal of Computational Chemistry, Vol. 23, No. 14. (2002), pp. 1323-1336.
    by Junichi Higo, Masayoshi Nakasako
    posted to d20 hydration solvation water by softsimu on 2008-04-03 22:16:49 as **
  • Large-scale networks of hydration water molecules around bovine [beta]-trypsin revealed by cryogenic X-ray crystal structure analysis
    Journal of Molecular Biology, Vol. 289, No. 3. (11 June 1999), pp. 547-564.
    by Masayoshi Nakasako
    posted to d20 solvation water by softsimu on 2008-04-03 22:10:22 as **
  • Water-protein interactions from high-resolution protein crystallography
    Philosophical Transactions of the Royal Society B: Biological Sciences, Vol. 359, No. 1448. (2004), pp. 1191-1206.
    by Masayoshi Nakasako
    posted to d20 protein water by softsimu on 2008-04-03 22:07:17 as **
  • Hydrogen-Bond Dynamics near a Micellar Surface: Origin of the Universal Slow Relaxation at Complex Aqueous Interfaces
    Physical Review Letters, Vol. 89, No. 11. (2002), 115505.
    by Sundaram Balasubramanian, Subrata Pal, Biman Bagchi
    posted to d20 h-bonds water by softsimu on 2008-04-03 22:04:53 as **
  • J. Chem. Phys. / Volume 41 / Issue 3 / Structure of Water and Hydrophobic Bonding in Proteins. IV. The Thermodynamic Properties of Liquid Deuterium Oxide
    Journal of Chemical Physics, Vol. 41 (1964), pp. 680-689.
    by G Némethy, HA Scheraga
    posted to d20 by softsimu on 2008-04-03 22:00:38 as **
  • Rotation of Structural Water inside a Protein: Calculation of the Rate and Vibrational Entropy of Activation
    J. Phys. Chem. B, Vol. 102, No. 10. (5 March 1998), pp. 1797-1805.
    by S Fischer, CS Verma, RE Hubbard
    posted to d20 proteins water by softsimu on 2008-04-03 21:57:52 as **
  • Molecular motion in spin-labeled phospholipids and membranes
    Journal of the American Chemical Society, Vol. 93 (1971), pp. 314-326.
    by WL Hubbell, HM Mcconnell
    posted to d20 spin-labels by softsimu on 2008-04-03 21:54:30 as **
  • Hydrophobic interaction in light and heavy water
    The Journal of Physical Chemistry, Vol. 77, No. 1. (1973), pp. 95-102.
    by A Ben-Naim, J Wilf, Yaacobi
    posted to d20 water by softsimu on 2008-01-15 20:27:10 as **
  • Stability of globular proteins in H<SUB><FONT SIZE='-1'>2</FONT></SUB>O and D<SUB><FONT SIZE='-1'>2</FONT></SUB>O
    Biopolymers, Vol. 85, No. 3. (2007), pp. 264-273.
    by YM Efimova, S Haemers, B Wierczinski, W Norde, AA van Well
    posted to d20 proteins by softsimu on 2008-01-15 20:24:54 as **
  • Effect of deuterium oxide on the thermodynamic quantities associated with phase transitions of phosphatidylcholine bilayer membranes
    Biochim. Biophys. Acta Biomembr., Vol. 1712, No. 1. (2005), pp. 92-100.
    by H Matsuki, H Okuno, F Sakano, M Kusube, S Kaneshina
    posted to d20 membranes by softsimu on 2008-01-14 14:50:59 as **
  • Solvation properties and stability of ribonuclease A in normal and deuterated water studied by dielectric relaxation and differential scanning/pressure perturbation calorimetry
    Phys. Chem. Chem. Phys., Vol. 6, No. 8. (2004), pp. 1899-1905.
    by P Sasisanker, A Oleinikova, H Weingärtner, R Ravindra, R Winter
    posted to d20 water by softsimu on 2008-01-14 14:13:54 as **
  • New insights into water-phospholipid model membrane interactions
    Biochim. Biophys. Acta Biomembr., Vol. 1663, No. 1-2. (2004), pp. 19-51.
    by J Milhaud
    posted to d20 membranes water by softsimu on 2008-01-14 14:11:48 as **
  • Different properties of H2O- And D2O-containing phospholipid-based reverse micelles near a critical temperature
    Langmuir, Vol. 22, No. 14. (2006), pp. 6068-6077.
    by J Milhaud, E Hantz, J Liquier
    posted to d20 micelles by softsimu on 2008-01-14 14:11:12 as **
  • Aqueous solutions next to phospholipid membrane surfaces: Insights from simulations
    Chem. Rev., Vol. 106, No. 4. (2006), pp. 1527-1539.
    by ML Berkowitz, DL Bostick, S Pandit
    posted to d20 membranes water by softsimu on 2008-01-14 14:10:18 as ** along with 1 person robertvacha
  • Solvent isotope effect and protein stability
    Nat Struct Mol Biol, Vol. 2, No. 10. (October 1995), pp. 852-855.
    by George I Makhatadze, Marius G Clore, Angela M Gronenborn
    posted to d20 proteins by softsimu on 2008-01-14 14:08:55 as **
  • Effect of heavy water on the growth, glucose assimilation and stability of Escherichia coli to freezing-thawing
    Mikrobiologiia, Vol. 61, No. 6. (1992), pp. 1030-1037.
    by LA Litvinenko, LA Kravchuk, SB Petrikevich, VG Sakharovskii, IG Ivanitskaia, DE Guliamova
    posted to d20 by softsimu on 2008-01-14 14:07:09 as **
  • Pharmacological uses and perspectives of heavy water and deuterated compounds
    Can. J. Physiol. Pharmacol., Vol. 77, No. 2. (1999), pp. 79-88.
    by DJ Kushner, A Baker, TG Dunstall
    posted to d20 by softsimu on 2008-01-14 14:04:53 as **
  • Aggregation of ?-lactoglobulin and influence of D2O
    FEBS Lett., Vol. 421, No. 3. (1998), pp. 273-276.
    by M Verheul, C Roefs, PFM de Kruif, G Kees
    posted to d20 by softsimu on 2008-01-14 14:02:51 as **
  • Isotopic quantum effects in water structure measured with high energy photon diffraction
    J Phys Condens Matter, Vol. 12, No. 12. (2000), pp. 2597-2612.
    by B Tomberli, CJ Benmore, PA Egelstaff, J Neuefeind, V Honkimäki
    posted to d20 water by softsimu on 2008-01-14 14:00:21 as **
  • Assessment of Critical Parameter Values for H$_2$0 and D$_2$0
    Vol. 14 (1985), pp. 193-207.
    by Levelt-Sengers, J Straub, K Watanabe, PG Hill
    posted to d20 water by softsimu on 2008-01-14 13:57:38 as **
  • Thermo-physical properties of fluid D$_2$O
    J. Phys. Chem. Ref. Data, Vol. 13 (1984), pp. 601-609.
    by J Kestin, JV Sengers, B Kamgar-Parsi, JMH Levelt-Sengers
    posted to d20 by softsimu on 2008-01-14 13:52:12 as **
  • Intermolecular potential and second virial coefficient of the water-hydrogen complex
    J Chem Phys, Vol. 120, No. 2. (2004), pp. 710-720.
    by MP Hodges, RJ Wheatley, GK Schenter, AH Harvey
    posted to d20 water by softsimu on 2008-01-14 13:48:25 as **
  • Correlation for the Second Virial Coefficient of Water
    J. Phys. Chem. Ref. Data, Vol. 33, No. 1. (2004), pp. 369-376.
    by AH Harvey, EW Lemmon
    posted to d20 water by softsimu on 2008-01-14 13:47:58 as **
  • Virial equations for light and heavy water
    Industrial and Engineering Chemistry Research, Vol. 27, No. 5. (1988), pp. 874-882.
    by PG Hill, RDC Macmillan
    posted to d20 by softsimu on 2008-01-14 13:44:55 as **
  • A reappraisal of what we have learnt during three decades of computer simulations on water
    Journal of Molecular Liquids, Vol. 101, No. 1-3. (November 2002), pp. 219-260.
    by Bertrand Guillot
    posted to d20 water by softsimu on 2008-01-14 13:44:08 as ** along with 3 people loison ruvido onufriev
  • Molecular dynamics simulation of OH in water
    Mol Simul, Vol. 30, No. 8. (2004), pp. 537-542.
    by MG Campo, JR Grigera
    posted to d20 water by softsimu on 2008-01-14 13:43:33 as **
  • Temperature dependence of isotopic quantum effects in water
    Phys Rev Lett, Vol. 94, No. 4. (2005), pp. 1-4.
    by RT Hart, CJ Benmore, J Neuefeind, S Kohara, B Tomberli, PA Egelstaff
    posted to d20 by softsimu on 2008-01-14 13:43:02 as **
  • An effective pair potential for heavy water
    J Chem Phys, Vol. 114, No. 18. (2001), pp. 8064-8067.
    by JR Grigera
    posted to d20 by softsimu on 2008-01-14 13:42:17 as **
  • Hydrogen-bonding in light and heavy water under normal and extreme conditions
    Fluid Phase Equilib., Vol. 150, No. 151., pp. 19-32.
    by B Guillot, Y Guissani
    posted to d20 water by softsimu on 2008-01-14 13:41:50 as **
  • Hydrogen bonding in water
    Phys Rev Lett, Vol. 91, No. 21. (2003)
    by B Chen, I Ivanov, ML Klein, M Parrinello
    posted to d20 water by softsimu on 2008-01-14 13:41:19 as ** along with 1 person ruvido
  • Rotational motion in liquid water is anisotropic: A nuclear magnetic resonance and molecular dynamics simulation study
    J. Am. Chem. Soc., Vol. 123, No. 33. (2001), pp. 8047-8052.
    by J Ropp, C Lawrence, TC Farrar, JL Skinner
    posted to d20 nmr water by softsimu on 2008-01-14 13:40:44 as **
  • Can the isotopic H?D substitution affect the conformational properties of polymeric aqueous solutions? the poly(ethylene oxide)-water case
    J Phys Condens Matter, Vol. 11, No. 32. (1999), pp. 6079-6098.
    by C Branca, A Faraone, G Maisano, S Magazu?, P Migliardo, A Triolo, R Triolo, V Villari
    posted to d20 by softsimu on 2008-01-14 13:39:25 as **
  • Criticism to light-heavy water substitution in structural studies of macromolecular aqueous solutions
    Phys B Condens Matter, Vol. 270, No. 3. (1999), pp. 350-359.
    by C Branca, S Magazu?, G Maisano, P Migliardo, E Tettamanti
    posted to d20 by softsimu on 2008-01-14 13:38:55 as **
  • Relative stability of hydrogen and deuterium bonds
    J. AM. CHEM. SOC., Vol. 118, No. 6. (1996), pp. 1511-1521.
    by S Scheiner, M C?uma
    posted to d20 by softsimu on 2008-01-14 13:37:53 as **
  • In deuterated water the unspecific adsorption of proteins is significantly slowed down: Results of an SPR study using model organic surfaces
    Langmuir, Vol. 21, No. 20. (2005), pp. 9017-9019.
    by C Grunwald, J Kuhlmann, C Wo?ll
    posted to d20 by softsimu on 2008-01-14 13:37:28 as **
  • Polar solvation dynamics of H2O and D2O at the surface of zirconia nanoparticles
    J Phys Chem B, Vol. 103, No. 37. (1999), pp. 7846-7852.
    by D Pant, NE Levinger
    posted to d20 by softsimu on 2008-01-14 13:36:59 as **
  • Influence of hydration on dynamical properties of reverse micelles
    J Non Cryst Solids, Vol. 307-310 (2002), pp. 874-877.
    by M Freda, G Onori, A Paciaroni, A Santucci
    posted to d20 micelles by softsimu on 2008-01-14 13:36:26 as **
  • The role of the medium in solvent isotope effects on serine protease action
    Can J Chem, Vol. 77, No. 5-6. (1999), pp. 781-786.
    by J Tian, J Tan, KB Schowen, RL Schowen
    posted to d20 by softsimu on 2008-01-14 13:35:56 as **
  • Pressure, Isotope, and Water Co-solvent Effects in Liquid-Liquid Equilibria of (Ionic Liquid + Alcohol) Systems
    J Phys Chem B, Vol. 107, No. 46. (2003), pp. 12797-12807.
    by V Najdanovic-Visak, JMSS Esperanc?a, LPN Rebelo, MN Da Ponte, HJR Guedes, KR Seddon, HC De Sousa, J Szydlowski
    posted to d20 by softsimu on 2008-01-14 13:32:29 as **
  • Solvent and Primary Deuterium Isotope Effects Show That Lactate CH and OH Bond Cleavages Are Concerted in Y254F Flavocytochrome b2, Consistent with a Hydride Transfer Mechanism
    Biochemistry, Vol. 42, No. 51. (2003), pp. 15208-15214.
    by P Sobrado, PF Fitzpatrick
    posted to d20 by softsimu on 2008-01-14 13:31:55 as **
  • Structure of water and hydrophobic bonding in proteins. IV. The thermodynamic properties of liquid deuterium oxide
    The Journal of Chemical Physics, Vol. 41, No. 3. (1964), pp. 680-689.
    by G Ne?methy, HA Scheraga
    posted to d20 by softsimu on 2008-01-14 13:31:17 as **
  • Mechanisms of cytotoxic effects of heavy water (deuterium oxide: D2O) on cancer cells
    Anti-Cancer Drugs, Vol. 9, No. 8. (1998), pp. 715-725.
    by H Takeda, Y Nio, H Omori, K Uegaki, N Hirahara, S Sasaki, K Tamura, H Ohtani
    posted to cancer d20 by softsimu on 2008-01-14 13:30:45 as **
  • A molecular dynamics simulation study of the solvent isotope effect on copper plastocyanin
    Biophysical Chemistry, Vol. 82, No. 1. (15 November 1999), pp. 9-22.
    by Rita Guzzi, Caterina Arcangeli, Anna R Bizzarri
    posted to d20 by softsimu on 2008-01-14 13:28:26 as **
  • Stabilization of Tubulin by Deuterium Oxide
    Biochemistry, Vol. 38, No. 10. (9 March 1999), pp. 3067-3072.
    by G Chakrabarti, S Kim, ML Gupta, JS Barton, RH Himes
    posted to d20 tubulin by softsimu on 2008-01-14 13:27:29 as **
  • The Effect of D2O on the Association of beta-Lactoglobulin A
    J. Biol. Chem., Vol. 247, No. 10. (25 May 1972), pp. 3199-3204.
    by Peter A Baghurst, Lawrence W Nichol, William H Sawyer
    posted to d20 by softsimu on 2008-01-14 13:26:27 as **
  • Effect of Heavy Water on Protein Flexibility
    Biophys. J., Vol. 82, No. 6. (1 June 2002), pp. 3246-3253.
    by Patrizia Cioni, Giovanni B Strambini
    posted to d20 proteins by softsimu on 2008-01-14 13:25:42 as **
  • Distinct Water Species Confined at the Interface of a Phospholipid Membrane
    Physical Review Letters, Vol. 99, No. 7. (2007)
    by Victor V Volkov, Jason D Palmer, Roberto Righini
    posted to d20 water by softsimu on 2008-01-13 22:42:18 as ** along with 1 person and 1 group sobolevnrm baker-group
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