| Protein-folding dynamics: overview of molecular simulation techniques HA Scheraga, M Khalili, A Liwo Annu. Rev. Phys. Chem. 58, 57-83, 2007 | 484 | 2007 |
| 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 | 396 | 1997 |
| Ab initio simulations of protein-folding pathways by molecular dynamics with the united-residue model of polypeptide chains A Liwo, M Khalili, HA Scheraga Proceedings of the National Academy of Sciences 102 (7), 2362-2367, 2005 | 328 | 2005 |
| Principal component analysis for protein folding dynamics GG Maisuradze, A Liwo, HA Scheraga Journal of molecular biology 385 (1), 312-329, 2009 | 296 | 2009 |
| 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 | 258 | 2001 |
| Protein structure prediction by global optimization of a potential energy function A Liwo, J Lee, DR Ripoll, J Pillardy, HA Scheraga Proceedings of the National Academy of Sciences 96 (10), 5482-5485, 1999 | 234 | 1999 |
| 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 | 226 | 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 | 200 | 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 | 196 | 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 | 193 | 2001 |
| Energy-based de novo protein folding by conformational space annealing and an off-lattice united-residue force field: Application to the 10-55 fragment of
J Lee, A Liwo, HA Scheraga Proceedings of the National Academy of Sciences 96 (5), 2025-2030, 1999 | 188 | 1999 |
| Polyproline II conformation is one of many local conformational states and is not an overall conformation of unfolded peptides and proteins J Makowska, S Rodziewicz-Motowidło, K Bagińska, JA Vila, A Liwo, ... Proceedings of the National Academy of Sciences 103 (6), 1744-1749, 2006 | 186 | 2006 |
| 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 | 181 | 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 | 167 | 2005 |
| Prediction of protein conformation on the basis of a search for compact structures: test on avian pancreatic polypeptide A Liwo, RJ Wawak, HA Scheraga, MR Pincus, S Rackovsky Protein Science 2 (10), 1715-1731, 1993 | 163 | 1993 |
| Molecular dynamics with the united-residue model of polypeptide chains. II. Langevin and Berendsen-bath dynamics and tests on model α-helical systems M Khalili, A Liwo, A Jagielska, HA Scheraga The Journal of Physical Chemistry B 109 (28), 13798-13810, 2005 | 152 | 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 | 142 | 2002 |
| 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 | 120 | 2004 |
| Molecular dynamics with the united-residue model of polypeptide chains. I. Lagrange equations of motion and tests of numerical stability in the microcanonical mode M Khalili, A Liwo, F Rakowski, P Grochowski, HA Scheraga The Journal of Physical Chemistry B 109 (28), 13785-13797, 2005 | 119 | 2005 |
| Determination of equilibrium parameters by minimization of an extended sum of squares J Kostrowicki, A Liwo Talanta 37 (6), 645-650, 1990 | 119 | 1990 |
Cezary CzaplewskiFaculty of Chemistry, University of GdańskPatvirtintas el. paštas ug.edu.pl
