Coarse-grained protein models and their applications S Kmiecik, D Gront, M Kolinski, L Wieteska, AE Dawid, A Kolinski Chemical Reviews 116 (14), 7898-7936, 2016 | 1033 | 2016 |
Macromolecular modeling and design in Rosetta: recent methods and frameworks JK Leman, BD Weitzner, SM Lewis, J Adolf-Bryfogle, N Alam, RF Alford, ... Nature methods 17 (7), 665-680, 2020 | 607 | 2020 |
Generalized fragment picking in Rosetta: design, protocols and applications D Gront, DW Kulp, RM Vernon, CEM Strauss, D Baker PloS one 6 (8), e23294, 2011 | 216 | 2011 |
Backbone building from quadrilaterals: a fast and accurate algorithm for protein backbone reconstruction from alpha carbon coordinates D Gront, S Kmiecik, A Kolinski Journal of computational chemistry 28 (9), 1593-1597, 2007 | 139 | 2007 |
Comparison of three Monte Carlo conformational search strategies for a proteinlike homopolymer model: Folding thermodynamics and identification of low-energy structures D Gront, A Kolinski, J Skolnick The Journal of Chemical Physics 113 (12), 5065-5071, 2000 | 92 | 2000 |
Towards the high-resolution protein structure prediction. Fast refinement of reduced models with all-atom force field S Kmiecik, D Gront, A Kolinski BMC structural biology 7 (1), 1-11, 2007 | 62 | 2007 |
Utility library for structural bioinformatics D Gront, A Kolinski Bioinformatics 24 (4), 584-585, 2008 | 59 | 2008 |
BioShell—a package of tools for structural biology computations D Gront, A Kolinski Bioinformatics 22 (5), 621-622, 2006 | 57 | 2006 |
Efficient scheme for optimization of parallel tempering Monte Carlo method D Gront, A Kolinski Journal of Physics: Condensed Matter 19 (3), 036225, 2007 | 47 | 2007 |
HCPM—program for hierarchical clustering of protein models D Gront, A Kolinski Bioinformatics 21 (14), 3179-3180, 2005 | 43 | 2005 |
A new combination of replica exchange Monte Carlo and histogram analysis for protein folding and thermodynamics D Gront, A Kolinski, J Skolnick The Journal of Chemical Physics 115 (3), 1569-1574, 2001 | 42 | 2001 |
Optimization of protein models D Gront, S Kmiecik, M Blaszczyk, D Ekonomiuk, A Koliński Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (3), 479-493, 2012 | 40 | 2012 |
Type II restriction endonuclease R. Eco29kI is a member of the GIY-YIG nuclease superfamily EM Ibryashkina, MV Zakharova, VB Baskunov, ES Bogdanova, ... BMC structural biology 7, 1-10, 2007 | 39 | 2007 |
Better together: Elements of successful scientific software development in a distributed collaborative community J Koehler Leman, BD Weitzner, PD Renfrew, SM Lewis, R Moretti, ... PLoS computational biology 16 (5), e1007507, 2020 | 34 | 2020 |
From coarse-grained to atomic-level characterization of protein dynamics: transition state for the folding of B domain of protein A S Kmiecik, D Gront, M Kouza, A Kolinski The Journal of Physical Chemistry B 116 (23), 7026-7032, 2012 | 33 | 2012 |
Denatured proteins and early folding intermediates simulated in a reduced conformational space S Kmiecik, M Kurcinski, A Rutkowska, D Gront, A Kolinski Acta Biochimica Polonica 53 (1), 131-144, 2005 | 31 | 2005 |
Biofunctionalisation of p-doped silicon with cytochrome c 553 minimises charge recombination and enhances photovoltaic performance of the all-solid-state photosystem I-based … JDJ Olmos, P Becquet, D Gront, J Sar, A Dąbrowski, G Gawlik, ... RSC Advances 7 (75), 47854-47866, 2017 | 29 | 2017 |
Combining coarse-grained protein models with replica-exchange all-atom molecular dynamics J Wabik, S Kmiecik, D Gront, M Kouza, A Koliński International journal of molecular sciences 14 (5), 9893-9905, 2013 | 29 | 2013 |
A simple lattice model that exhibits a protein‐like cooperative all‐or‐none folding transition A Kolinski, D Gront, P Pokarowski, J Skolnick Biopolymers: Original Research on Biomolecules 69 (3), 399-405, 2003 | 28 | 2003 |
Contrasting Health Effects of Bacteroidetes and Firmicutes Lies in Their Genomes: Analysis of P450s, Ferredoxins, and Secondary Metabolite Clusters BVZ Nkosi, T Padayachee, D Gront, DR Nelson, K Syed International journal of molecular sciences 23 (9), 5057, 2022 | 26 | 2022 |