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There are 12519 results for: content related to: Exact rotamer optimization for protein design

  1. Improved energy bound accuracy enhances the efficiency of continuous protein design

    Proteins: Structure, Function, and Bioinformatics

    Volume 83, Issue 6, June 2015, Pages: 1151–1164, Kyle E. Roberts and Bruce R. Donald

    Version of Record online : 8 MAY 2015, DOI: 10.1002/prot.24808

  2. The penultimate rotamer library

    Proteins: Structure, Function, and Bioinformatics

    Volume 40, Issue 3, 15 August 2000, Pages: 389–408, Simon C. Lovell, J. Michael Word, Jane S. Richardson and David C. Richardson

    Version of Record online : 12 JUN 2000, DOI: 10.1002/1097-0134(20000815)40:3<389::AID-PROT50>3.0.CO;2-2

  3. You have free access to this content
    IRECS: A new algorithm for the selection of most probable ensembles of side-chain conformations in protein models

    Protein Science

    Volume 16, Issue 7, July 2007, Pages: 1294–1307, Christoph Hartmann, Iris Antes and Thomas Lengauer

    Version of Record online : 2 JAN 2009, DOI: 10.1110/ps.062658307

  4. Ab Initio Conformational Space Study of Model Compounds of O-Glycosides of Serine Diamide

    Chemistry - A European Journal

    Volume 8, Issue 20, October 18, 2002, Pages: 4718–4733, Gábor I. Csonka, Gábor A. Schubert, András Perczel, Carlos P. Sosa and Imre G. Csizmadia

    Version of Record online : 14 OCT 2002, DOI: 10.1002/1521-3765(20021018)8:20<4718::AID-CHEM4718>3.0.CO;2-S

  5. Cyclopropane Pipecolic Acids as Templates for Linear and Cyclic Peptidomimetics: Application in the Synthesis of an Arg-Gly-Asp (RGD)-Containing Peptide as an αvβ3 Integrin Ligand

    Chemistry - A European Journal

    Volume 20, Issue 35, August 25, 2014, Pages: 11187–11203, Lorenzo Sernissi, Martina Petrović, Dr. Dina Scarpi, Prof. Antonio Guarna, Dr. Andrea Trabocchi, Dr. Francesca Bianchini and Prof. Ernesto G. Occhiato

    Version of Record online : 28 JUL 2014, DOI: 10.1002/chem.201403077

  6. Rotamer optimization for protein design through MAP estimation and problem-size reduction

    Journal of Computational Chemistry

    Volume 30, Issue 12, September 2009, Pages: 1923–1945, Eun-Jong Hong, Shaun M. Lippow, Bruce Tidor and Tomás Lozano-Pérez

    Version of Record online : 2 JAN 2009, DOI: 10.1002/jcc.21188

  7. First Asymmetric Total Synthesis of Penarolide Sulfate A1

    European Journal of Organic Chemistry

    Volume 2008, Issue 36, December 2008, Pages: 6213–6224, Debendra K. Mohapatra, Debabrata Bhattasali, Mukund K. Gurjar, M. Islam Khan and K. S. Shashidhara

    Version of Record online : 14 NOV 2008, DOI: 10.1002/ejoc.200800680

  8. Diastereoselective Overman Rearrangement of an L-Ascorbic-Acid-Derived Allylic Alcohol: Application in the Synthesis of (+)-1,2-Di-epi-swainsonine and a Tetrahydroxypyrrolizidine

    European Journal of Organic Chemistry

    Volume 2015, Issue 13, May 2015, Pages: 2902–2913, Parasuraman Rajasekaran, Alafia A. Ansari and Yashwant D. Vankar

    Version of Record online : 20 MAR 2015, DOI: 10.1002/ejoc.201500129

  9. Statistical and conformational analysis of the electron density of protein side chains

    Proteins: Structure, Function, and Bioinformatics

    Volume 66, Issue 2, 1 February 2007, Pages: 279–303, Maxim V. Shapovalov and Roland L. Dunbrack Jr.

    Version of Record online : 1 NOV 2006, DOI: 10.1002/prot.21150

  10. Protein side-chain modeling with a protein-dependent optimized rotamer library

    Proteins: Structure, Function, and Bioinformatics

    Volume 82, Issue 9, September 2014, Pages: 2000–2017, Patricia Francis-Lyon and Patrice Koehl

    Version of Record online : 16 APR 2014, DOI: 10.1002/prot.24555

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    Improved side-chain prediction accuracy using an ab initio potential energy function and a very large rotamer library

    Protein Science

    Volume 13, Issue 3, March 2004, Pages: 735–751, Ronald W. Peterson, P. Leslie Dutton and A. Joshua Wand

    Version of Record online : 1 JAN 2009, DOI: 10.1110/ps.03250104

  12. You have free access to this content
    A graph-theory algorithm for rapid protein side-chain prediction

    Protein Science

    Volume 12, Issue 9, September 2003, Pages: 2001–2014, Adrian A. Canutescu, Andrew A. Shelenkov and Roland L. Dunbrack Jr.

    Version of Record online : 1 JAN 2009, DOI: 10.1110/ps.03154503

  13. 1,2-Diastereoselective C–C Bond-Forming Reactions for the Synthesis of Chiral β-Branched α-Amino Acids

    European Journal of Organic Chemistry

    Volume 2010, Issue 31, November 2010, Pages: 6005–6018, Thomas Spangenberg, Angèle Schoenfelder, Bernhard Breit and André Mann

    Version of Record online : 20 SEP 2010, DOI: 10.1002/ejoc.201000865

  14. You have free access to this content
    Improved prediction of protein side-chain conformations with SCWRL4

    Proteins: Structure, Function, and Bioinformatics

    Volume 77, Issue 4, December 2009, Pages: 778–795, Georgii G. Krivov, Maxim V. Shapovalov and Roland L. Dunbrack Jr.

    Version of Record online : 29 MAY 2009, DOI: 10.1002/prot.22488

  15. You have free access to this content
    Improved side-chain modeling for protein–protein docking

    Protein Science

    Volume 14, Issue 5, May 2005, Pages: 1328–1339, Chu Wang, Ora Schueler-Furman and David Baker

    Version of Record online : 1 JAN 2009, DOI: 10.1110/ps.041222905

  16. Incorporating knowledge-based biases into an energy-based side-chain modeling method: Application to comparative modeling of protein structure

    Biopolymers

    Volume 59, Issue 2, August 2001, Pages: 72–86, Joaquim Mendes, Hampapathalu A. Nagarajaram, Cláudio M. Soares, Tom L. Blundell and Maria Arménia Carrondo

    Version of Record online : 15 MAY 2001, DOI: 10.1002/1097-0282(200108)59:2<72::AID-BIP1007>3.0.CO;2-S

  17. Accurate prediction for atomic-level protein design and its application in diversifying the near-optimal sequence space

    Proteins: Structure, Function, and Bioinformatics

    Volume 75, Issue 3, 15 May 2009, Pages: 682–705, Menachem Fromer and Chen Yanover

    Version of Record online : 25 SEP 2008, DOI: 10.1002/prot.22280

  18. A General Route to Cyclopeptide Alkaloids: Total Syntheses and Biological Evaluation of Paliurines E and F, Ziziphines N and Q, Abyssenine A, Mucronine E, and Analogues

    European Journal of Organic Chemistry

    Volume 2009, Issue 20, July 2009, Pages: 3368–3386, Mathieu Toumi, Vincent Rincheval, Ashley Young, Danielle Gergeres, Edward Turos, François Couty, Bernard Mignotte and Gwilherm Evano

    Version of Record online : 19 MAY 2009, DOI: 10.1002/ejoc.200900122

  19. Conformational splitting: A more powerful criterion for dead-end elimination

    Journal of Computational Chemistry

    Volume 21, Issue 11, August 2000, Pages: 999–1009, N. A. Pierce, J. A. Spriet, J. Desmet and S. L. Mayo

    Version of Record online : 21 JUN 2000, DOI: 10.1002/1096-987X(200008)21:11<999::AID-JCC9>3.0.CO;2-A

  20. The minimized dead-end elimination criterion and its application to protein redesign in a hybrid scoring and search algorithm for computing partition functions over molecular ensembles

    Journal of Computational Chemistry

    Volume 29, Issue 10, 30 July 2008, Pages: 1527–1542, Ivelin Georgiev, Ryan H. Lilien and Bruce R. Donald

    Version of Record online : 21 FEB 2008, DOI: 10.1002/jcc.20909