Coarse-graining of condensed phase and biomolecular systems GA Voth CRC press, 2008 | 762 | 2008 |
Cumulant-based expressions for the multibody terms for the correlation between local and electrostatic interactions in the united-residue force field A Liwo, C Czaplewski, J Pillardy, HA Scheraga The Journal of Chemical Physics 115 (5), 2323-2347, 2001 | 276 | 2001 |
Modification and optimization of the united-residue (UNRES) potential energy function for canonical simulations. I. Temperature dependence of the effective energy function and … A Liwo, M Khalili, C Czaplewski, S Kalinowski, S Ołdziej, K Wachucik, ... The Journal of Physical Chemistry B 111 (1), 260-285, 2007 | 218 | 2007 |
United‐residue force field for off‐lattice protein‐structure simulations: III. Origin of backbone hydrogen‐bonding cooperativity in united‐residue potentials A Liwo, R Kaźmierkiewicz, C Czaplewski, M Groth, S Ołdziej, RJ Wawak, ... Journal of computational chemistry 19 (3), 259-276, 1998 | 204 | 1998 |
Computational techniques for efficient conformational sampling of proteins A Liwo, C Czaplewski, S Ołdziej, HA Scheraga Current opinion in structural biology 18 (2), 134-139, 2008 | 197 | 2008 |
Recent improvements in prediction of protein structure by global optimization of a potential energy function J Pillardy, C Czaplewski, A Liwo, J Lee, DR Ripoll, R Kaźmierkiewicz, ... Proceedings of the National Academy of Sciences 98 (5), 2329-2333, 2001 | 195 | 2001 |
Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests S Ołdziej, C Czaplewski, A Liwo, M Chinchio, M Nanias, JA Vila, M Khalili, ... Proceedings of the National Academy of Sciences 102 (21), 7547-7552, 2005 | 178 | 2005 |
A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: application to the UNRES force field A Liwo, P Arłukowicz, C Czaplewski, S Ołdziej, J Pillardy, HA Scheraga Proceedings of the National Academy of Sciences 99 (4), 1937-1942, 2002 | 148 | 2002 |
A unified coarse-grained model of biological macromolecules based on mean-field multipole–multipole interactions A Liwo, M Baranowski, C Czaplewski, E Gołaś, Y He, D Jagieła, P Krupa, ... Journal of molecular modeling 20, 1-15, 2014 | 143 | 2014 |
Parametrization of backbone− electrostatic and multibody contributions to the UNRES force field for protein-structure prediction from ab initio energy surfaces of model systems A Liwo, S Ołdziej, C Czaplewski, U Kozłowska, HA Scheraga The Journal of Physical Chemistry B 108 (27), 9421-9438, 2004 | 122 | 2004 |
Blind prediction of homo‐and hetero‐protein complexes: The CASP13‐CAPRI experiment MF Lensink, G Brysbaert, N Nadzirin, S Velankar, RAG Chaleil, T Gerguri, ... Proteins: Structure, Function, and Bioinformatics 87 (12), 1200-1221, 2019 | 117 | 2019 |
Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force field GG Maisuradze, P Senet, C Czaplewski, A Liwo, HA Scheraga The Journal of Physical Chemistry A 114 (13), 4471-4485, 2010 | 117 | 2010 |
Application of multiplexed replica exchange molecular dynamics to the UNRES force field: tests with α and α+ β proteins C Czaplewski, S Kalinowski, A Liwo, HA Scheraga Journal of chemical theory and computation 5 (3), 627-640, 2009 | 109 | 2009 |
Molecular simulation study of cooperativity in hydrophobic association C Czaplewski, S Rodziewicz-Motowidło, A Liwo, DR Ripoll, RJ Wawak, ... Protein Science 9 (6), 1235-1245, 2000 | 102 | 2000 |
Potential of mean force of association of large hydrophobic particles: Toward the nanoscale limit M Makowski, C Czaplewski, A Liwo, HA Scheraga The Journal of Physical Chemistry B 114 (2), 993-1003, 2010 | 89 | 2010 |
Molecular dynamics study of a gelsolin‐derived peptide binding to a lipid bilayer containing phosphatidylinositol 4, 5‐bisphosphate I Liepiņa, C Czaplewski, P Janmey, A Liwo Peptide Science 71 (1), 49-70, 2003 | 86 | 2003 |
Prediction of protein assemblies, the next frontier: The CASP14‐CAPRI experiment MF Lensink, G Brysbaert, T Mauri, N Nadzirin, S Velankar, RAG Chaleil, ... Proteins: Structure, Function, and Bioinformatics 89 (12), 1800-1823, 2021 | 85 | 2021 |
Replica exchange and multicanonical algorithms with the coarse-grained united-residue (UNRES) force field M Nanias, C Czaplewski, HA Scheraga Journal of chemical theory and computation 2 (3), 513-528, 2006 | 80 | 2006 |
Optimization of the UNRES force field by hierarchical design of the potential-energy landscape. 3. Use of many proteins in optimization S Ołdziej, J Ła̧giewka, A Liwo, C Czaplewski, M Chinchio, M Nanias, ... The Journal of Physical Chemistry B 108 (43), 16950-16959, 2004 | 80 | 2004 |
Optimization of the UNRES force field by hierarchical design of the potential-energy landscape. 2. Off-lattice tests of the method with single proteins S Ołdziej, A Liwo, C Czaplewski, J Pillardy, HA Scheraga The Journal of Physical Chemistry B 108 (43), 16934-16949, 2004 | 76 | 2004 |