Coarse-graining of condensed phase and biomolecular systems GA Voth CRC press, 2008 | 781 | 2008 |
A united‐residue force field for off‐lattice protein‐structure simulations. I. Functional forms and parameters of long‐range side‐chain interaction potentials from protein … A Liwo, S Ołdziej, MR Pincus, RJ Wawak, S Rackovsky, HA Scheraga Journal of computational chemistry 18 (7), 849-873, 1997 | 429 | 1997 |
A united‐residue force field for off‐lattice protein‐structure simulations. II. Parameterization of short‐range interactions and determination of weights of energy terms by Z … A Liwo, MR Pincus, RJ Wawak, S Rackovsky, S Ołdziej, HA Scheraga Journal of computational chemistry 18 (7), 874-887, 1997 | 241 | 1997 |
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 | 228 | 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 | 211 | 1998 |
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 | 201 | 2001 |
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 | 198 | 2008 |
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 | 182 | 2005 |
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 | 161 | 2014 |
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 | 150 | 2002 |
CAS MCSCF/CAS MCQDPT2 study of the mechanism of singlet oxygen addition to 1, 3-butadiene and benzene M Bobrowski, A Liwo, S Ołdziej, D Jeziorek, T Ossowski Journal of the American Chemical Society 122 (34), 8112-8119, 2000 | 125 | 2000 |
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 | 124 | 2004 |
Mean-Field Interactions between Nucleic-Acid-Base Dipoles<? format?> can Drive the Formation of a Double Helix Y He, M Maciejczyk, S Ołdziej, HA Scheraga, A Liwo Physical Review Letters 110 (9), 098101, 2013 | 93 | 2013 |
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 | 83 | 2004 |
β-hairpin-forming peptides; models of early stages of protein folding A Lewandowska, S Ołdziej, A Liwo, HA Scheraga Biophysical chemistry 151 (1-2), 1-9, 2010 | 80 | 2010 |
Simulation of the opening and closing of Hsp70 chaperones by coarse-grained molecular dynamics E Gołaś, GG Maisuradze, P Senet, S Ołdziej, C Czaplewski, HA Scheraga, ... Journal of chemical theory and computation 8 (5), 1750-1764, 2012 | 77 | 2012 |
Lessons from application of the UNRES force field to predictions of structures of CASP10 targets Y He, MA Mozolewska, P Krupa, AK Sieradzan, TK Wirecki, A Liwo, ... Proceedings of the National Academy of Sciences 110 (37), 14936-14941, 2013 | 76 | 2013 |
Simulation of protein structure and dynamics with the coarse-grained UNRES force field A Liwo, C Czaplewski, S Ołdziej, AV Rojas, R Kazmierkiewicz, ... Coarse-graining of condensed phase and biomolecular systems 1, 1391-1411, 2008 | 73 | 2008 |
Potential of mean force of hydrophobic association: Dependence on solute size E Sobolewski, M Makowski, C Czaplewski, A Liwo, S Ołdziej, ... The Journal of Physical Chemistry B 111 (36), 10765-10774, 2007 | 70 | 2007 |
Development of physics-based energy functions that predict medium-resolution structures for proteins of the α, β, and α/β structural classes J Pillardy, C Czaplewski, A Liwo, WJ Wedemeyer, J Lee, DR Ripoll, ... The Journal of Physical Chemistry B 105 (30), 7299-7311, 2001 | 69 | 2001 |