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There are 37124 results for: content related to: CHARMM fluctuating charge force field for proteins: II Protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model

  1. Molecular dynamics simulation of hydrated DPPC monolayers using charge equilibration force fields

    Journal of Computational Chemistry

    Volume 33, Issue 2, 15 January 2012, Pages: 141–152, Timothy R. Lucas, Brad A. Bauer, Joseph E. Davis and Sandeep Patel

    Version of Record online : 14 OCT 2011, DOI: 10.1002/jcc.21927

  2. CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations

    Journal of Computational Chemistry

    Volume 25, Issue 1, 15 January 2004, Pages: 1–16, Sandeep Patel and Charles L. Brooks III

    Version of Record online : 24 OCT 2003, DOI: 10.1002/jcc.10355

  3. Nociceptin and its natural and specifically-modified fragments: Structural studies

    Biopolymers

    Volume 93, Issue 12, December 2010, Pages: 1039–1054, E. Podstawka-Proniewicz, M. Kosior, Y. Kim, K. Rolka and L. M. Proniewicz

    Version of Record online : 13 JUL 2010, DOI: 10.1002/bip.21516

  4. You have full text access to this OnlineOpen article
    Analytical gradients for MP2, double hybrid functionals, and TD-DFT with polarizable embedding described by fluctuating charges

    Journal of Computational Chemistry

    Volume 36, Issue 31, December 5, 2015, Pages: 2271–2290, Ivan Carnimeo, Chiara Cappelli and Vincenzo Barone

    Version of Record online : 24 SEP 2015, DOI: 10.1002/jcc.24195

  5. Mapping of regimes for the key processes in wet granulation: Foam vs. spray

    AIChE Journal

    Volume 59, Issue 7, July 2013, Pages: 2328–2338, Melvin X.L. Tan and Karen P. Hapgood

    Version of Record online : 20 MAR 2013, DOI: 10.1002/aic.14024

  6. You have full text access to this OnlineOpen article
    The diagnostic accuracy of the GenoType® MTBDRsl assay for the detection of resistance to second-line anti-tuberculosis drugs

    Diagnostic Test Accuracy Review

    The Cochrane Library

    Grant Theron, Jonny Peter, Marty Richardson, Marinus Barnard, Sarah Donegan, Rob Warren, Karen R Steingart and Keertan Dheda

    Published Online : 29 OCT 2014, DOI: 10.1002/14651858.CD010705.pub2

  7. You have free access to this content
    Polarizable force fields based on physical models and quantum chemical calculations

    International Journal of Quantum Chemistry

    Volume 115, Issue 9, May 5, 2015, Pages: 545–549, Xingyong Wang, Tianying Yan and Jing Ma

    Version of Record online : 20 NOV 2014, DOI: 10.1002/qua.24829

  8. ‘Add faith vnto your force’: the perfecting of Spenser's knight of holiness in faith and humility

    Renaissance Studies

    Volume 18, Issue 3, September 2004, Pages: 449–474, Gerald Morgan

    Version of Record online : 10 AUG 2004, DOI: 10.1111/j.0269-1213.2004.00071.x

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    The antimalarial ferroquine is an inhibitor of hepatitis C virus

    Hepatology

    Volume 58, Issue 1, July 2013, Pages: 86–97, Thibaut Vausselin, Noémie Calland, Sandrine Belouzard, Véronique Descamps, Florian Douam, François Helle, Catherine François, Dimitri Lavillette, Gilles Duverlie, Ahmed Wahid, Lucie Fénéant, Laurence Cocquerel, Yann Guérardel, Czeslaw Wychowski, Christophe Biot and Jean Dubuisson

    Version of Record online : 14 MAY 2013, DOI: 10.1002/hep.26273

  10. Solvation properties of N-acetyl-β-glucosamine: Molecular dynamics study incorporating electrostatic polarization

    Journal of Computational Chemistry

    Volume 32, Issue 16, December 2011, Pages: 3339–3353, Yang Zhong, Brad A. Bauer and Sandeep Patel

    Version of Record online : 7 SEP 2011, DOI: 10.1002/jcc.21873

  11. Structural and dynamical properties of methane clathrate hydrates

    Journal of Computational Chemistry

    Volume 24, Issue 13, October 2003, Pages: 1569–1581, Niall J. English and J. M. D. Macelroy

    Version of Record online : 4 AUG 2003, DOI: 10.1002/jcc.10303

  12. Binding structures of tri-N-acetyl-β-glucosamine in hen egg white lysozyme using molecular dynamics with a polarizable force field

    Journal of Computational Chemistry

    Volume 34, Issue 3, 30 January 2013, Pages: 163–174, Yang Zhong and Sandeep Patel

    Version of Record online : 29 OCT 2012, DOI: 10.1002/jcc.23109

  13. You have full text access to this OnlineOpen article
    Hfq binds directly to the ribosome-binding site of IS10 transposase mRNA to inhibit translation

    Molecular Microbiology

    Volume 96, Issue 3, May 2015, Pages: 633–650, Michael J. Ellis, Ryan S. Trussler and David B. Haniford

    Version of Record online : 11 MAR 2015, DOI: 10.1111/mmi.12961

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    A survey of fluoroquinolone resistance in Escherichia coli and thermophilic Campylobacter spp. on poultry and pig farms in Great Britain

    Journal of Applied Microbiology

    Volume 105, Issue 5, November 2008, Pages: 1421–1431, N.M. Taylor, R.H. Davies, A. Ridley, C. Clouting, A.D. Wales and F.A. Clifton-Hadley

    Version of Record online : 5 SEP 2008, DOI: 10.1111/j.1365-2672.2008.03877.x

  15. Characterization of the solubility and solid-state properties of saccharin salts of fluoroquinolones

    Journal of Pharmaceutical Sciences

    Volume 98, Issue 10, October 2009, Pages: 3788–3801, Carolina B. Romañuk, Ruben H. Manzo, Yamila Garro Linck, Ana K. Chattah, Gustavo A. Monti and Maria E. Olivera

    Version of Record online : 18 FEB 2009, DOI: 10.1002/jps.21688

  16. Fluctuating charge normal modes: An algorithm for implementing molecular dynamics simulations with polarizable potentials

    Journal of Computational Chemistry

    Volume 26, Issue 7, May 2005, Pages: 699–707, L. Renee Olano and Steven W. Rick

    Version of Record online : 10 MAR 2005, DOI: 10.1002/jcc.20212

  17. Synthesis of Ferroquine Enantiomers: First Investigation of Effects of Metallocenic Chirality upon Antimalarial Activity and Cytotoxicity

    ChemBioChem

    Volume 3, Issue 5, May 3, 2002, Pages: 418–423, Laurence Delhaes, Christophe Biot, Laurence Berry, Philippe Delcourt, Lucien A. Maciejewski, Daniel Camus, Jacques S. Brocard and Daniel Dive

    Version of Record online : 2 MAY 2002, DOI: 10.1002/1439-7633(20020503)3:5<418::AID-CBIC418>3.0.CO;2-P

  18. Risk factor of community-onset spontaneous bacterial peritonitis caused by fluoroquinolone-resistant Escherichia coli in patients with cirrhosis

    Liver International

    Volume 34, Issue 5, May 2014, Pages: 695–699, Jungok Kim, Cheol-In Kang, Eun-Jeong Joo, Young Eun Ha, Sun Young Cho, Geum-Youn Gwak, Doo Ryeon Chung, Kyong Ran Peck and Jae-Hoon Song

    Version of Record online : 24 NOV 2013, DOI: 10.1111/liv.12374

  19. Ferrocene Conjugates of Chloroquine and other Antimalarials: the Development of Ferroquine, a New Antimalarial

    ChemMedChem

    Volume 3, Issue 3, March 14, 2008, Pages: 383–391, Daniel Dive and Christophe Biot

    Version of Record online : 5 SEP 2007, DOI: 10.1002/cmdc.200700127

  20. Co-ordination between BrlA regulation and secretion of the oxidoreductase FmqD directs selective accumulation of fumiquinazoline C to conidial tissues in Aspergillus fumigatus

    Cellular Microbiology

    Volume 16, Issue 8, August 2014, Pages: 1267–1283, Fang Yun Lim, Brian Ames, Christopher T. Walsh and Nancy P. Keller

    Version of Record online : 15 APR 2014, DOI: 10.1111/cmi.12284