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There are 11644 results for: content related to: Techniques, tools and best practices for ligand electron-density analysis and results from their application to deposited crystal structures

  1. Visualizing ligand molecules in twilight electron density

    Acta Crystallographica Section F

    Volume 69, Issue 2, February 2013, Pages: 195–200, Christian X. Weichenberger, Edwin Pozharski and Bernhard Rupp

    DOI: 10.1107/S1744309112044387

  2. On the variability of experimental data in macromolecular crystallography

    Acta Crystallographica Section D

    Volume 68, Issue 9, September 2012, Pages: 1077–1087, Edwin Pozharski

    DOI: 10.1107/S0907444912020100

  3. You have free access to this content
    Automating crystallographic structure solution and refinement of protein–ligand complexes

    Acta Crystallographica Section D

    Volume 70, Issue 1, January 2014, Pages: 144–154, Nathaniel Echols, Nigel W. Moriarty, Herbert E. Klei, Pavel V. Afonine, Gábor Bunkóczi, Jeffrey J. Headd, Airlie J. McCoy, Robert D. Oeffner, Randy J. Read, Thomas C. Terwilliger and Paul D. Adams

    DOI: 10.1107/S139900471302748X

  4. Benzimidazoles

    Chemistry of Heterocyclic Compounds: Benzimidazoles and Cogeneric Tricyclic Compounds, Part 1, Volume 40

    P. N. Preston, Pages: 1–285, 2008

    Published Online : 2 JAN 2008, DOI: 10.1002/9780470187159.ch1

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    Locating interaction sites on proteins: The crystal structure of thermolysin soaked in 2% to 100% isopropanol

    Proteins: Structure, Function, and Bioinformatics

    Volume 37, Issue 4, 1 December 1999, Pages: 628–640, Andrew C. English, Sarah H. Done, Leo S.D. Caves, Colin R. Groom and Roderick E. Hubbard

    Article first published online : 25 JAN 2000, DOI: 10.1002/(SICI)1097-0134(19991201)37:4<628::AID-PROT13>3.0.CO;2-G

  6. The mechanism of carcinogenic action of 1,2-dimethylhydrazine (sdmh) in rats

    International Journal of Cancer

    Volume 15, Issue 4, 15 April 1975, Pages: 673–683, K. M. Pozharisski, Yu. M. Kapustin, A. J. Likhachev and J. D. Shaposhnikov

    Article first published online : 18 JUL 2006, DOI: 10.1002/ijc.2910150417

  7. 3-D Contact problems for elastic wedges with Coulomb friction

    Mathematical Methods in the Applied Sciences

    Volume 27, Issue 2, 25 January 2004, Pages: 193–220, Michael Bach and Dmitri Pozharskii

    Article first published online : 5 DEC 2003, DOI: 10.1002/mma.451

  8. Pyrimido[4,5-c]pyridazine-5,7(6H, 8H)-diones: Marvelous substrates for study of nucleophilic substitution of hydrogen

    Journal of Heterocyclic Chemistry

    Volume 42, Issue 3, April 2005, Pages: 375–385, Alexander F. Pozharskii and Anna V. Gulevskaya

    Article first published online : 13 MAR 2009, DOI: 10.1002/jhet.5570420304

  9. Primary 1H/2H isotope effect in the NMR chemical shift of HClO4 salts of 1,8-bis(dimethylamino)naphthalene derivatives

    Journal of Physical Organic Chemistry

    Volume 20, Issue 9, September 2007, Pages: 643–648, Piotr Chmielewski, Valery A. Ozeryanskii, Lucjan Sobczyk and Alexander F. Pozharskii

    Article first published online : 2 AUG 2007, DOI: 10.1002/poc.1219

  10. Automated identification of crystallographic ligands using sparse-density representations

    Acta Crystallographica Section D

    Volume 70, Issue 7, July 2014, Pages: 1844–1853, C. G. Carolan and V. S. Lamzin

    DOI: 10.1107/S1399004714008578

  11. Une Nouvelle Récyclisation De Cations 1,3-Hétérocycliques En Cations Benzimidazolium Et Perimidinium

    Bulletin des Sociétés Chimiques Belges

    Volume 100, Issue 2, 1991, Pages: 175–181, I. V. Védernikova, A. A. Konstantinchenko and Yu. I. Ryabukhin

    Article first published online : 1 SEP 2010, DOI: 10.1002/bscb.19911000211

  12. Structure of human apurinic/apyrimidinic endonuclease 1 with the essential Mg2+ cofactor

    Acta Crystallographica Section D

    Volume 69, Issue 12, December 2013, Pages: 2555–2562, Brittney A. Manvilla, Edwin Pozharski, Eric A. Toth and Alexander C. Drohat

    DOI: 10.1107/S0907444913027042

  13. Synthesis and heterocyclizations of 3-alkynyl-6,8-dimethylpyrimido-[4,5-c]pyridazine-5,7(6H,8H)-diones and their lumazine analogues

    Journal of Heterocyclic Chemistry

    Volume 42, Issue 3, April 2005, Pages: 413–419, Anna V. Gulevskaya, Shee Van Dang and Alexander F. Pozharskii

    Article first published online : 13 MAR 2009, DOI: 10.1002/jhet.5570420308

  14. To what extent can a conjugation between two pairs of peri-nitro and peri-amino groups be realized through the naphthalene core?

    Journal of Physical Organic Chemistry

    Volume 26, Issue 6, June 2013, Pages: 492–502, Valery A. Ozeryanskii, Ekaterina A. Filatova, Alexander F. Pozharskii, Dmitrii A. Shevchuk and Vladimir I. Sorokin

    Article first published online : 6 MAY 2013, DOI: 10.1002/poc.3114

  15. Superbasic Alkyl-Substituted Bisphosphazene Proton Sponges: Synthesis, Structural Features, Thermodynamic and Kinetic Basicity, Nucleophilicity and Coordination Chemistry

    Chemistry - A European Journal

    Volume 20, Issue 25, June 16, 2014, Pages: 7670–7685, Julius F. Kögel, Dr. Xiulan Xie, Eduard Baal, Donatas Gesevičius, Dr. Benjamin Oelkers, Dr. Borislav Kovačević and Prof. Dr. Jörg Sundermeyer

    Article first published online : 5 MAY 2014, DOI: 10.1002/chem.201402226

  16. Condensed Benzimidazoles of Type 6–6–5

    Chemistry of Heterocyclic Compounds: Benzimidazoles and Cogeneric Tricyclic Compounds, Part 1, Volume 40

    P. N. Preston, G. Tennant, Pages: 483–644, 2008

    Published Online : 2 JAN 2008, DOI: 10.1002/9780470187159.ch5

  17. Separation and free radical-scavenging activity of major curcuminoids of Curcuma longa using HPTLC-DPPH method

    Phytochemical Analysis

    Volume 19, Issue 3, May/June 2008, Pages: 236–243, Olga N. Pozharitskaya, Svetlana A. Ivanova, Alexander N. Shikov and Valery G. Makarov

    Article first published online : 10 OCT 2007, DOI: 10.1002/pca.1035

  18. Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package

    Acta Crystallographica Section D

    Volume 70, Issue 5, May 2014, Pages: 1233–1247, Oleg Y. Borbulevych, Joshua A. Plumley, Roger I. Martin, Kenneth M. Merz Jr and Lance M. Westerhoff

    DOI: 10.1107/S1399004714002260

  19. Improved crystallographic models through iterated local density-guided model deformation and reciprocal-space refinement

    Acta Crystallographica Section D

    Volume 68, Issue 7, July 2012, Pages: 861–870, Thomas C. Terwilliger, Randy J. Read, Paul D. Adams, Axel T. Brunger, Pavel V. Afonine, Ralf W. Grosse-Kunstleve and Li-Wei Hung

    DOI: 10.1107/S0907444912015636

  20. Expectation bias and information content

    Acta Crystallographica Section F

    Volume 69, Issue 2, February 2013, Page: 83, Zbigniew Dauter, Manfred S. Weiss, Howard Einspahr and Edward N. Baker

    DOI: 10.1107/S1744309113001486