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There are 23810 results for: content related to: Protein design automation

  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 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

  3. You have free access to this content
    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

  4. 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

  5. Fast gap-free enumeration of conformations and sequences for protein design

    Proteins: Structure, Function, and Bioinformatics

    Volume 83, Issue 10, October 2015, Pages: 1859–1877, Kyle E. Roberts, Pablo Gainza, Mark A. Hallen and Bruce R. Donald

    Version of Record online : 24 AUG 2015, DOI: 10.1002/prot.24870

  6. You have free access to this content
    Improved modeling of side-chains in proteins with rotamer-based methods: A flexible rotamer model

    Proteins: Structure, Function, and Bioinformatics

    Volume 37, Issue 4, 1 December 1999, Pages: 530–543, Joaquim Mendes, António M. Baptista, Maria Arménia Carrondo and Cláudio M. Soares

    Version of Record online : 25 JAN 2000, DOI: 10.1002/(SICI)1097-0134(19991201)37:4<530::AID-PROT4>3.0.CO;2-H

  7. Dead-end elimination with perturbations (DEEPer): A provable protein design algorithm with continuous sidechain and backbone flexibility

    Proteins: Structure, Function, and Bioinformatics

    Volume 81, Issue 1, January 2013, Pages: 18–39, Mark A. Hallen, Daniel A. Keedy and Bruce R. Donald

    Version of Record online : 18 SEP 2012, DOI: 10.1002/prot.24150

  8. Rotamer libraries and probabilities of transition between rotamers for the side chains in protein–protein binding

    Proteins: Structure, Function, and Bioinformatics

    Volume 80, Issue 8, August 2012, Pages: 2089–2098, Tatsiana Kirys, Anatoly M. Ruvinsky, Alexander V. Tuzikov and Ilya A. Vakser

    Version of Record online : 12 JUN 2012, DOI: 10.1002/prot.24103

  9. You have free access to this content
    Optimization of rotamers prior to template minimization improves stability predictions made by computational protein design

    Protein Science

    Volume 24, Issue 4, April 2015, Pages: 545–560, James A. Davey and Roberto A. Chica

    Version of Record online : 13 JAN 2015, DOI: 10.1002/pro.2618

  10. 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

  11. Synthesis and Comparative Study of Homoisofagomines and Analogues as Glycosidase Inhibitors

    European Journal of Organic Chemistry

    Volume 2014, Issue 4, February 2014, Pages: 844–859, Ranjan Kumar Basak and Yashwant D. Vankar

    Version of Record online : 26 NOV 2013, DOI: 10.1002/ejoc.201301279

  12. Flexible torsion-angle noncrystallographic symmetry restraints for improved macromolecular structure refinement

    Acta Crystallographica Section D

    Volume 70, Issue 5, May 2014, Pages: 1346–1356, Jeffrey J. Headd, Nathaniel Echols, Pavel V. Afonine, Nigel W. Moriarty, Richard J. Gildea and Paul D. Adams

    DOI: 10.1107/S1399004714003277

  13. You have free access to this content
    Bayesian statistical analysis of protein side-chain rotamer preferences

    Protein Science

    Volume 6, Issue 8, August 1997, Pages: 1661–1681, Roland L. Dunbrack Jr. and Fred E. Cohen

    Version of Record online : 31 DEC 2008, DOI: 10.1002/pro.5560060807

  14. Expanding molecular modeling and design tools to non-natural sidechains

    Journal of Computational Chemistry

    Volume 33, Issue 18, 5 July 2012, Pages: 1525–1535, David Gfeller, Olivier Michielin and Vincent Zoete

    Version of Record online : 14 APR 2012, DOI: 10.1002/jcc.22982

  15. Improvement of side-chain modeling in proteins with the self-consistent mean field theory method based on an analysis of the factors influencing prediction

    Biopolymers

    Volume 50, Issue 2, August 1999, Pages: 111–131, Joaquim Mendes, Cláudio M. Soares and Maria Arménia Carrondo

    Version of Record online : 21 JUN 1999, DOI: 10.1002/(SICI)1097-0282(199908)50:2<111::AID-BIP1>3.0.CO;2-N

  16. Prediction and evaluation of side-chain conformations for protein backbone structures

    Proteins: Structure, Function, and Bioinformatics

    Volume 26, Issue 3, November 1996, Pages: 323–352, Peter S. Shenkin, Dr. Hany Farid and Jacquelyn S. Fetrow

    Version of Record online : 7 DEC 1998, DOI: 10.1002/(SICI)1097-0134(199611)26:3<323::AID-PROT8>3.0.CO;2-E

  17. An energy-based conformer library for side chain optimization: Improved prediction and adjustable sampling

    Proteins: Structure, Function, and Bioinformatics

    Volume 80, Issue 9, August 2012, Pages: 2218–2234, Sabareesh Subramaniam and Alessandro Senes

    Version of Record online : 18 JUN 2012, DOI: 10.1002/prot.24111

  18. Design and stereoselective synthesis of four peptide nucleic acid monomers with cyclic structures in backbone

    Journal of Heterocyclic Chemistry

    Volume 48, Issue 5, September 2011, Pages: 1132–1139, Akiko Watanabe, Naotoshi Kiyota, Tetsuo Yamasaki, Kazuhiro Tanda, Tatsunori Miyagoe, Masanori Sakamoto and Masami Otsuka

    Version of Record online : 7 JUN 2011, DOI: 10.1002/jhet.627

  19. Radical performance enhancements for combinatorial optimization algorithms based on the dead-end elimination theorem

    Journal of Computational Chemistry

    Volume 19, Issue 13, October 1998, Pages: 1505–1514, D. Benjamin Gordon and Stephen L. Mayo

    Version of Record online : 6 JAN 1999, DOI: 10.1002/(SICI)1096-987X(199810)19:13<1505::AID-JCC7>3.0.CO;2-U

  20. An evaluvation of discrete and continuum search techniques for conformational analysis of side chains in proteins

    Biopolymers

    Volume 36, Issue 1, July 1995, Pages: 53–70, Maximiliano Vásquez

    Version of Record online : 1 FEB 2004, DOI: 10.1002/bip.360360106