Stebėti
Adam Liwo
Pavadinimas
Cituota
Cituota
Metai
Protein-folding dynamics: overview of molecular simulation techniques
HA Scheraga, M Khalili, A Liwo
Annu. Rev. Phys. Chem. 58, 57-83, 2007
5032007
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
4191997
Principal component analysis for protein folding dynamics
GG Maisuradze, A Liwo, HA Scheraga
Journal of molecular biology 385 (1), 312-329, 2009
3782009
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
3372005
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
2762001
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
2501999
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
2361997
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
2182007
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
2041998
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
1972008
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
1952001
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
1912006
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
1901999
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
1772005
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
1661993
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
1652005
Relation between free energy landscapes of proteins and dynamics
GG Maisuradze, A Liwo, HA Scheraga
Journal of chemical theory and computation 6 (2), 583-595, 2010
1512010
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
1482002
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
1432014
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
1302005
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