Search Results - "Liwo, Adam"

Two Methods for Superposing the Structures of Like-Molecule Assemblies: Application to Peptide and Protein Oligomers and Aggregates.

Authors: Liwo, Adam Leśniewski, Mateusz

Source: Molecules. Mar2025, Vol. 30 Issue 5, p1156-1. 17p.

Long-Time Dynamics of Selected Molecular-Motor Components Using a Physics-Based Coarse-Grained Approach.

Authors: Liwo, Adam Pyrka, Maciej Czaplewski, Cezary et al.

Source: Biomolecules (2218-273X). Jun2023, Vol. 13 Issue 6, p941. 19p.

Implementation of Replica-Averaged Restraints from Nuclear Magnetic Resonance Measurement with UNRES Coarse Grained Model of Polypeptide Chains.

Authors: Shirkov, Leonid Czaplewski, Cezary Liwo, Adam

Source: Molecules. Nov2025, Vol. 30 Issue 22, p4354. 24p.

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Development of physics-based energy functions that predict medium-resolution structures for proteins of the α,β, and α/β structural classes.

Authors: Pillardy, Jarosław Czaplewski, Cezary Liwo, Adam

Source: Journal of Physical Chemistry B.; August 2 2001, Vol. 105 Issue 30, p7299-7311, 13p

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CAS MCSCF/CAS MCQDPT2 study of the mechanism of singlet oxygen addition to 1,3-butadiene and benzene.

Authors: Bobrowski, Maciej Liwo, Adam Ołdziej, Stanisław

Source: Journal of the American Chemical Society; August 30 2000, Vol. 122 Issue 34, p8112-8119, 8p

A coarse‐grained approach to NMR‐data‐assisted modeling of protein structures.

Authors: Lubecka, Emilia A. Liwo, Adam

Source: Journal of Computational Chemistry. 12/5/2022, Vol. 43 Issue 31, p2047-2059. 13p.

Subjects: Protein structure, Protein models, Flexible structures, Molecular dynamics

An efficient deformation-based global optimization method for off-lattice polymer chains: self-consistent basin-to-deformed-basin mapping (SCBDBM). Application to united-residue polypeptide chains.

Authors: Pillardy, Jaroslaw Liwo, Adam Groth, Malgorzata

Source: Journal of Physical Chemistry B.; August 26 1999, Vol. 103 Issue 34, p7353-7366, 14p

Ab initio study of energetics of protonation and hydrogen bonding of pyridine N-oxide and its derivatives.

Authors: Makowski, Mariusz Liwo, Adam Wróbel, Roman

Source: Journal of Physical Chemistry A; December 16 1999, Vol. 103 Issue 50, p11104-11108, 5p

An efficient deformation-based global optimization method (self-consistent basin-to-deformed-basin mapping (SCBDBM). Application to Lennard-Jones atomic clusters.

Authors: Pillardy, Jarosław Liwo, Adam Scheraga, Harold A.

Source: Journal of Physical Chemistry A; November 18 1999, Vol. 103 Issue 46, p9370-9377, 8p

Diffusion equation and distance scaling methods of global optimization: applications to crystal structure prediction.

Authors: Wawak, Ryszard J. Pillardy, Jaroslaw Liwo, Adam

Source: Journal of Physical Chemistry A; April 23 1998, Vol. 102 Issue 17, p2904-2918, 15p

Theoretical studies on the structure, stability, ability to undergo internal transformations, and tautomerization, as well as reactivity, of H2PPH2 and HPPH3 molecules.

Authors: Rak, Janusz Skurski, Piotr Liwo, Adam

Source: Journal of the American Chemical Society; March 8 1995, Vol. 117, p2638-2648, 11p

Long‐time scale simulations of virus‐like particles from three human‐norovirus strains.

Authors: Lipska, Agnieszka G. Sieradzan, Adam K. Czaplewski, Cezary et al.

Source: Journal of Computational Chemistry; 6/15/2023, Vol. 44 Issue 16, p1470-1483, 14p

Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins.

Authors: Sieradzan, Adam K. Sans‐Duñó, Jordi Lubecka, Emilia A. et al.

Source: Journal of Computational Chemistry; 2/5/2023, Vol. 44 Issue 4, p602-625, 24p