X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=inline;f=django_simple%2Ftodo%2Ftemplates%2Fabout.html;h=f3d310370cd92cad8298b334e7aa3ccc141e3113;hb=f84bee65e9c8a2ce6a082e85160a5ccbabe76ebf;hp=72262dff2d08cda5a0d9b886f96afdb75bc91574;hpb=54cd6e1d5ddfde7997eaaacb3e83f4f09a4cbb16;p=django_unres.git diff --git a/django_simple/todo/templates/about.html b/django_simple/todo/templates/about.html index 72262df..f3d3103 100644 --- a/django_simple/todo/templates/about.html +++ b/django_simple/todo/templates/about.html @@ -38,11 +38,18 @@ folds of fragments with 50-200 residues in length.

Selected references:

    +
  1. +C. Czaplewski, A. Karczyńska, A.K. Sieradzan, A. Liwo. +UNRES server for physics-based coarse-grained simulations and prediction of +protein structure, dynamics and thermodynamics.
    + Nucleic Acids Res. 2018, 46. W304-W309. +doi:10.1093/nar/gky328 +
  2. A. Liwo, C. Czaplewski, S. Oldziej, A.V. Rojas, R. Kazmierkiewicz, M. Makowski, R.K. Murarka, H.A. Scheraga. Simulation of protein structure and -dynamics with the coarse-grained UNRES force field. In: Coarse-Graining of +dynamics with the coarse-grained UNRES force field.
    In: Coarse-Graining of Condensed Phase and Biomolecular Systems., ed. G. Voth, Taylor & Francis, 2008, Chapter 8, pp. 107-122
  3. @@ -50,7 +57,7 @@ Condensed Phase and Biomolecular Systems., ed. G. Voth, Taylor & Francis,
  4. Y. He, Y. Xiao, A. Liwo, H.A. Scheraga. Exploring the parameter space of the coarse-grained UNRES force field by random search: selecting a transferable -medium-resolution force field. +medium-resolution force field.
    J. Comput. Chem. 2009, 30, 2127-2135.
  5. @@ -59,7 +66,7 @@ A. Liwo, S. Ołdziej, C. Czaplewski, D. Kleinerman, P. Blood and H.A. Scheraga. Implementation of molecular dynamics and its extensions with the coarse-grained UNRES force field on massively parallel systems; towards millisecond-scale simulations of protein structure, dynamics, and -thermodynamics. J. Chem. Theory Comput. 2010, 6, 890-909. +thermodynamics.
    J. Chem. Theory Comput. 2010, 6, 890-909.
  6. @@ -68,7 +75,7 @@ P. Krupa, M. Maciejczyk, M. Makowski, M.A. Mozolewska, A. Niadzvedtski, S. Ołdziej, H.A. Scheraga, A.K. Sieradzan, R. Ślusarz, T. Wirecki, Y. Yin, B. Zaborowski. A unified coarse-grained model of biological macromolecules based on -mean-field multipole-multipole interactions +mean-field multipole-multipole interactions.
    J. Mol. Model. 2014, 20, 1-15.
  7. @@ -76,23 +83,42 @@ mean-field multipole-multipole interactions A.K. Sieradzan, P. Krupa, H.A. Scheraga, A. Liwo, C. Czaplewski. Physics-based potentials for the coupling between backbone- and side-chain-local conformational states in the United Residue (UNRES) force -field for protein simulations. +field for protein simulations.
    J. Chem. Theory. Comput. 2015, 11, 817-831.
  8. P. Krupa, A. Hałabis, W. Żmudzińska, S. Ołdziej, H.A. Scheraga, A. Liwo. Maximum Likelihood Calibration of the UNRES Force Field for Simulation of -Protein Structure and Dynamics. +Protein Structure and Dynamics.
    J. Chem. Inf. Model. 2017, 57, 2364–2377.
  9. A. Karczyńska, M.A. Mozolewska, P. Krupa, A. Giełdoń, A. Liwo, C. -Czaplewski.Prediction of protein structure with the coarse-grained UNRES +Czaplewski. Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based -information. -Proteins: Struct. Funct. Bioinf. 2017, CASP12 special issue DOI: 10.1002/prot.25421 +information.
    +Proteins: Struct. Funct. Bioinf. 2018, 86, 228-239. +
  10. + +
  11. +A. Liwo, A.K. Sieradzan, A.G. Lipska, C. Czaplewski, I. +Joung, W. Żmudzińska, A. Hałabis, S. Ołdziej. +A general method for the derivation of the functional forms of the effective +energy terms in coarse-grained energy functions of polymers. III. +Determination of scale-consistent backbone-local and correlation potentials +in the UNRES force field and force-field calibration and validation.
    +J. Chem. Phys. 2019, 150, 155104. +
  12. + +
  13. +E.A. Lubecka, A.S. Karczyńska, A.G. Lipska, A.K.Sieradzan, K. Zięba, C. Sikorska, +U. Uciechowska, S.A. Samsonov, P. Krupa, M.A. Mozolewska, Ł. Golon, A. Giełdoń, +C. Czaplewski, R. Ślusarz, M. Ślusarz, S.N. Crivelli, A. Liwo. +Evaluation of the scale-consistent UNRES force field in template-free +prediction of protein structures in the CASP13 experiment.
    +J. Mol. Graph. Model. 2019, 92, 154-166.