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There are 6174 results for: content related to: Binding structures of tri- N -acetyl-β-glucosamine in hen egg white lysozyme using molecular dynamics with a polarizable force field

  1. Comparison of radii sets, entropy, QM methods, and sampling on MM-PBSA, MM-GBSA, and QM/MM-GBSA ligand binding energies of F. tularensis enoyl-ACP reductase (FabI)

    Journal of Computational Chemistry

    Volume 36, Issue 25, September 30, 2015, Pages: 1859–1873, Pin-Chih Su, Cheng-Chieh Tsai, Shahila Mehboob, Kirk E. Hevener and Michael E. Johnson

    Version of Record online : 27 JUL 2015, DOI: 10.1002/jcc.24011

  2. Predicting flexible loop regions that interact with ligands: The challenge of accurate scoring

    Proteins: Structure, Function, and Bioinformatics

    Volume 80, Issue 1, January 2012, Pages: 246–260, Matthew L. Danielson and Markus A. Lill

    Version of Record online : 9 NOV 2011, DOI: 10.1002/prot.23199

  3. Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking

    Journal of Computational Chemistry

    Volume 32, Issue 5, 15 April 2011, Pages: 866–877, Tingjun Hou, Junmei Wang, Youyong Li and Wei Wang

    Version of Record online : 14 OCT 2010, DOI: 10.1002/jcc.21666

  4. Effect of atomic charge, solvation, entropy, and ligand protonation state on MM-PB(GB)SA binding energies of HIV protease

    Journal of Computational Chemistry

    Volume 33, Issue 32, 15 December 2012, Pages: 2566–2580, Daniel P. Oehme, Robert T. C. Brownlee and David J. D. Wilson

    Version of Record online : 23 AUG 2012, DOI: 10.1002/jcc.23095

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    Sequence interval within the PEST motif of Bicoid is important for translational repression of caudal mRNA in the anterior region of the Drosophila embryo

    The EMBO Journal

    Volume 18, Issue 7, April 1, 1999, Pages: 1966–1973, Dierk Niessing, Nathalie Dostatni, Herbert Jäckle and Rolando Rivera-Pomar

    Version of Record online : 1 APR 1999, DOI: 10.1093/emboj/18.7.1966

  6. Comparison of end-point continuum-solvation methods for the calculation of protein–ligand binding free energies

    Proteins: Structure, Function, and Bioinformatics

    Volume 80, Issue 5, May 2012, Pages: 1326–1342, Samuel Genheden and Ulf Ryde

    Version of Record online : 13 FEB 2012, DOI: 10.1002/prot.24029

  7. Coevolution in bicoid-dependent promoters and the inception of regulatory incompatibilities among species of higher Diptera

    Evolution & Development

    Volume 4, Issue 4, July 2002, Pages: 265–277, P. J. Shaw, N. S. Wratten, A. P. McGregor and G. A. Dover

    Version of Record online : 11 JUL 2002, DOI: 10.1046/j.1525-142X.2002.02016.x

  8. Virtual screening using molecular simulations

    Proteins: Structure, Function, and Bioinformatics

    Volume 79, Issue 6, June 2011, Pages: 1940–1951, Tianyi Yang, Johnny C. Wu, Chunli Yan, Yuanfeng Wang, Ray Luo, Michael B. Gonzales, Kevin N. Dalby and Pengyu Ren

    Version of Record online : 12 APR 2011, DOI: 10.1002/prot.23018

  9. A semiempirical approach to ligand-binding affinities: Dependence on the Hamiltonian and corrections

    Journal of Computational Chemistry

    Volume 33, Issue 12, 5 May 2012, Pages: 1179–1189, Paulius Mikulskis, Samuel Genheden, Karin Wichmann and Ulf Ryde

    Version of Record online : 7 MAR 2012, DOI: 10.1002/jcc.22949

  10. Physics-based enzyme design: Predicting binding affinity and catalytic activity

    Proteins: Structure, Function, and Bioinformatics

    Volume 82, Issue 12, December 2014, Pages: 3397–3409, Sarah Sirin, David A. Pearlman and Woody Sherman

    Version of Record online : 30 OCT 2014, DOI: 10.1002/prot.24694

  11. Free energy calculations of the interactions of c-Jun-based synthetic peptides with the c-Fos protein

    Biopolymers

    Volume 97, Issue 11, November 2012, Pages: 899–909, Zhili Zuo, Neha S. Gandhi, Katja M. Arndt and Ricardo L. Mancera

    Version of Record online : 13 AUG 2012, DOI: 10.1002/bip.22099

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    Prolonged effects of short-term anti-CD20 B cell depletion therapy in murine systemic lupus erythematosus

    Arthritis & Rheumatism

    Volume 62, Issue 8, August 2010, Pages: 2443–2457, Kai W. Bekar, Teresa Owen, Robert Dunn, Travis Ichikawa, Wensheng Wang, Roger Wang, Jennifer Barnard, Sean Brady, Sarah Nevarez, Bruce I. Goldman, Marilyn Kehry and Jennifer H. Anolik

    Version of Record online : 19 APR 2010, DOI: 10.1002/art.27515

  13. Balance and randomness in sequential clinical trials: the dominant biased coin design

    Pharmaceutical Statistics

    Volume 13, Issue 2, March/April 2014, Pages: 119–127, Alessandro Baldi Antognini and Maroussa Zagoraiou

    Version of Record online : 17 JAN 2014, DOI: 10.1002/pst.1607

  14. Maternal AP determinants in the Drosophila oocyte and embryo

    Wiley Interdisciplinary Reviews: Developmental Biology

    Volume 5, Issue 5, September/October 2016, Pages: 562–581, Jun Ma, Feng He, Gengqiang Xie and Wu-Min Deng

    Version of Record online : 2 JUN 2016, DOI: 10.1002/wdev.235

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    Drosophila Bicoid is a substrate of sumoylation and its activator function is subject to inhibition by this post-translational modification

    FEBS Letters

    Volume 586, Issue 12, June 12, 2012, Pages: 1719–1723, Junbo Liu and Jun Ma

    Version of Record online : 11 MAY 2012, DOI: 10.1016/j.febslet.2012.04.059

  16. How temperature, precipitation and stand age control the biomass carbon density of global mature forests

    Global Ecology and Biogeography

    Volume 23, Issue 3, March 2014, Pages: 323–333, Yingchun Liu, Guirui Yu, Qiufeng Wang and Yangjian Zhang

    Version of Record online : 28 OCT 2013, DOI: 10.1111/geb.12113

  17. Molecular modeling reveals binding interface of γ-tubulin with GCP4 and interactions with noscapinoids

    Proteins: Structure, Function, and Bioinformatics

    Volume 83, Issue 5, May 2015, Pages: 827–843, Charu Suri, Harish C. Joshi and Pradeep Kumar Naik

    Version of Record online : 28 FEB 2015, DOI: 10.1002/prot.24773

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    Targeting cholesterol with β-cyclodextrin sensitizes cancer cells for apoptosis

    FEBS Letters

    Volume 589, Issue 24PartB, December 21, 2015, Pages: 4097–4105, Ryuji Yamaguchi, Guy Perkins and Kiichi Hirota

    Version of Record online : 25 NOV 2015, DOI: 10.1016/j.febslet.2015.11.009

  19. Boosting Pose Ranking Performance via Rescoring with MM-GBSA

    Chemical Biology & Drug Design

    Volume 88, Issue 3, September 2016, Pages: 317–328, Paulette A. Greenidge, Richard A. Lewis and Peter Ertl

    Version of Record online : 10 MAY 2016, DOI: 10.1111/cbdd.12763

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    Analysis of pattern precision shows that Drosophila segmentation develops substantial independence from gradients of maternal gene products

    Developmental Dynamics

    Volume 235, Issue 11, November 2006, Pages: 2949–2960, David M. Holloway, Lionel G. Harrison, David Kosman, Carlos E. Vanario-Alonso and Alexander V. Spirov

    Version of Record online : 7 SEP 2006, DOI: 10.1002/dvdy.20940