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There are 183248 results for: content related to: Back to the Future: Can Physical Models of Passive Membrane Permeability Help Reduce Drug Candidate Attrition and Move Us Beyond QSPR?

  1. Core Conductor Theory and Cable Properties of Neurons

    Standard Article

    Comprehensive Physiology

    Wilfrid Rall

    Published Online : 1 JAN 2011, DOI: 10.1002/cphy.cp010103

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    Dendritic voltage-gated K+ conductance gradient in pyramidal neurones of neocortical layer 5B from rats

    The Journal of Physiology

    Volume 579, Issue 3, March 2007, Pages: 737–752, Andreas T. Schaefer, Moritz Helmstaedter, Arno C. Schmitt, Dan Bar-Yehuda, Mara Almog, Hana Ben-Porat, Bert Sakmann and Alon Korngreen

    Article first published online : 14 MAR 2007, DOI: 10.1113/jphysiol.2006.122564

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    Passive membrane properties and electrotonic signal processing in retinal rod bipolar cells

    The Journal of Physiology

    Volume 587, Issue 4, February 2009, Pages: 829–849, Leif Oltedal, Margaret Lin Veruki and Espen Hartveit

    Article first published online : 13 FEB 2009, DOI: 10.1113/jphysiol.2008.165415

  4. CHARMM: The biomolecular simulation program

    Journal of Computational Chemistry

    Volume 30, Issue 10, 30 July 2009, Pages: 1545–1614, B. R. Brooks, C. L. Brooks III, A. D. Mackerell Jr., L. Nilsson, R. J. Petrella, B. Roux, Y. Won, G. Archontis, C. Bartels, S. Boresch, A. Caflisch, L. Caves, Q. Cui, A. R. Dinner, M. Feig, S. Fischer, J. Gao, M. Hodoscek, W. Im, K. Kuczera, T. Lazaridis, J. Ma, V. Ovchinnikov, E. Paci, R. W. Pastor, C. B. Post, J. Z. Pu, M. Schaefer, B. Tidor, R. M. Venable, H. L. Woodcock, X. Wu, W. Yang, D. M. York and M. Karplus

    Article first published online : 14 MAY 2009, DOI: 10.1002/jcc.21287

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    Differences in subthreshold resonance of hippocampal pyramidal cells and interneurons: the role of h-current and passive membrane characteristics

    The Journal of Physiology

    Volume 588, Issue 12, June 2010, Pages: 2109–2132, Rita Zemankovics, Szabolcs Káli, Ole Paulsen, Tamás F. Freund and Norbert Hájos

    Article first published online : 28 JUN 2010, DOI: 10.1113/jphysiol.2009.185975

  6. Advances in the Prediction of Protein–Peptide Binding Affinities: Implications for Peptide-Based Drug Discovery

    Chemical Biology & Drug Design

    Volume 81, Issue 1, January 2013, Pages: 50–60, Joseph Audie and Jon Swanson

    Article first published online : 17 DEC 2012, DOI: 10.1111/cbdd.12076

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    Identifying the Molecular Mechanics and Binding Dynamics Characteristics of Potent Inhibitors to HIV-1 Protease

    Chemical Biology & Drug Design

    Volume 80, Issue 3, September 2012, Pages: 440–454, Dechang Li, Ming S. Liu, Baohua Ji, Keh-Chih Hwang and Yonggang Huang

    Article first published online : 27 JUN 2012, DOI: 10.1111/j.1747-0285.2012.01417.x

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    Tumor Necrosis Factor Alpha Converting Enzyme: An Encouraging Target for Various Inflammatory Disorders

    Chemical Biology & Drug Design

    Volume 75, Issue 5, May 2010, Pages: 415–443, Malkeet S. Bahia and Om Silakari

    Article first published online : 12 MAR 2010, DOI: 10.1111/j.1747-0285.2010.00950.x

  9. Curcumin Binding to Beta Amyloid: A Computational Study

    Chemical Biology & Drug Design

    Volume 86, Issue 4, October 2015, Pages: 813–820, Praveen P. N. Rao, Tarek Mohamed, Karan Teckwani and Gary Tin

    Article first published online : 24 MAR 2015, DOI: 10.1111/cbdd.12552

  10. Ligand Efficiency Outperforms pIC50 on Both 2D MLR and 3D CoMFA Models: A Case Study on AR Antagonists

    Chemical Biology & Drug Design

    Volume 86, Issue 6, December 2015, Pages: 1501–1517, Jiazhong Li, Fang Bai, Huanxiang Liu and Paola Gramatica

    Article first published online : 15 OCT 2015, DOI: 10.1111/cbdd.12619

  11. Combined Molecular Docking, 3D-QSAR, and Pharmacophore Model: Design of Novel Tubulin Polymerization Inhibitors by Binding to Colchicine-binding Site

    Chemical Biology & Drug Design

    Volume 86, Issue 4, October 2015, Pages: 731–745, Dong-Dong Li, Ya-Juan Qin, Xin Zhang, Yong Yin, Hai-Liang Zhu and Lin-Guo Zhao

    Article first published online : 20 MAR 2015, DOI: 10.1111/cbdd.12545

  12. Molecular dynamics simulations of ionic and nonionic surfactant micelles with a generalized born implicit-solvent model

    Journal of Computational Chemistry

    Volume 32, Issue 11, August 2011, Pages: 2348–2358, Yuhang Wang, Jason A. Wallace, Peter H. Koenig and Jana K. Shen

    Article first published online : 4 MAY 2011, DOI: 10.1002/jcc.21813

  13. New Force Field on Modeling Intrinsically Disordered Proteins

    Chemical Biology & Drug Design

    Volume 84, Issue 3, September 2014, Pages: 253–269, Wei Wang, Wei Ye, Cheng Jiang, Ray Luo and Hai-Feng Chen

    Article first published online : 1 JUL 2014, DOI: 10.1111/cbdd.12314

  14. Prediction of primary structure deamidation rates of asparaginyl and glutaminyl peptides through steric and catalytic effects

    The Journal of Peptide Research

    Volume 63, Issue 5, May 2004, Pages: 437–448, N.E. Robinson and A.B. Robinson

    Article first published online : 10 MAY 2004, DOI: 10.1111/j.1399-3011.2004.00148.x

  15. Mechanistic-Based Descriptors for QSAR Study of Psychotropic Drug Toxicity

    Chemical Biology & Drug Design

    Volume 72, Issue 5, November 2008, Pages: 409–435, Mahnaz Esteki and Taghi Khayamian

    Article first published online : 16 OCT 2008, DOI: 10.1111/j.1747-0285.2008.00718.x

  16. Medicine pipeline: Structure-Based Drug Design and the Discovery of Aliskiren (Tekturna®): Perseverance and Creativity to Overcome a R&D Pipeline Challenge

    Chemical Biology & Drug Design

    Volume 70, Issue 6, December 2007, Pages: 557–565, Nissim Claude Cohen

    Article first published online : 12 NOV 2007, DOI: 10.1111/j.1747-0285.2007.00599.x

  17. Probing the Origin of Structural Stability of Single and Double Stapled p53 Peptide Analogs Bound to MDM2

    Chemical Biology & Drug Design

    Volume 83, Issue 6, June 2014, Pages: 631–642, Zuojun Guo, Kristina Streu, Goran Krilov and Udayan Mohanty

    Article first published online : 15 MAY 2014, DOI: 10.1111/cbdd.12284

  18. Potassium Channels: Structures, Diseases, and Modulators

    Chemical Biology & Drug Design

    Volume 83, Issue 1, January 2014, Pages: 1–26, Chuan Tian, Ruixin Zhu, Lixin Zhu, Tianyi Qiu, Zhiwei Cao and Tingguo Kang

    Article first published online : 23 DEC 2013, DOI: 10.1111/cbdd.12237

  19. Modeling of α-MSH conformations with implicit solvent

    The Journal of Peptide Research

    Volume 54, Issue 5, November 1999, Pages: 394–407, N.V. Prabhu, J.S. Perkyns and B.M. Pettitt

    Article first published online : 9 OCT 2008, DOI: 10.1034/j.1399-3011.1999.00113.x

  20. ‘100 years of peptide synthesis’: ligation methods for peptide and protein synthesis with applications to β-peptide assemblies

    The Journal of Peptide Research

    Volume 65, Issue 2, February 2005, Pages: 229–260, T. Kimmerlin and D. Seebach

    Article first published online : 10 FEB 2005, DOI: 10.1111/j.1399-3011.2005.00214.x