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.

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.

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.

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

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

Theoretical Investigation of the Coronavirus SARS-CoV-2 (COVID-19) Infection Mechanism and Selectivity.

Authors: Biskupek, Iga Sieradzan, Adam Czaplewski, Cezary et al.

Source: Molecules. Apr2022, Vol. 27 Issue 7, p2080-2080. 11p.

Pseudopotentials for coarse‐grained cross‐link‐assisted modeling of protein structures.

Authors: Kogut, Mateusz Gong, Zhou Tang, Chun et al.

Source: Journal of Computational Chemistry; 11/5/2021, Vol. 42 Issue 29, p2054-2067, 14p

ESCASA: Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance‐assisted protein structure modeling. I. Backbone and Hβ protons.

Authors: Lubecka, Emilia A. Liwo, Adam

Source: Journal of Computational Chemistry; 8/15/2021, Vol. 42 Issue 22, p1579-1589, 11p

Acknowledgment to the Reviewers of Entropy in 2022.

Source: Entropy. Feb2023, Vol. 25 Issue 2, p195. 35p.

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Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment.

Authors: Lubecka, Emilia A. Karczyńska, Agnieszka S. Lipska, Agnieszka G. et al.

Source: Journal of Molecular Graphics & Modelling; Nov2019, Vol. 92, p154-166, 13p

Introduction of a bounded penalty function in contact‐assisted simulations of protein structures to omit false restraints.

Authors: Lubecka, Emilia A. Liwo, Adam

Source: Journal of Computational Chemistry; 9/30/2019, Vol. 40 Issue 25, p2164-2178, 15p

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Influence of the Length of the Alanine Spacer on the Acidic-Basic Properties of the Ac-Lys-(Ala)-Lys-NH Peptides ( n = 0, 1, 2, ..., 5).

Authors: Makowska, Joanna Liwo, Adam Chmurzyński, Lech et al.

Source: Journal of Solution Chemistry. Nov2012, Vol. 41 Issue 10, p1738-1746. 9p.

Model of the external force field for the protein folding process -- the role of prefoldin.

Authors: Roterman, Irena Stapor, Katarzyna Konieczny, Leszek et al.

Source: Frontiers in Chemistry. 2024, p01-16. 16p.

Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems.

Authors: Ocetkiewicz, Krzysztof M. Czaplewski, Cezary Krawczyk, Henryk et al.

Source: Computer Physics Communications; May2024, Vol. 298, pN.PAG-N.PAG, 1p

Molecular Dynamics with the United-Residue Model of Polypeptide Chains. II. Langevin and Berendsen-Bath Dynamics and Tests on Model α-Helical Systems.

Authors: Khalili, Mey Liwo, Adam Jagielska, Anna et al.

Source: Journal of Physical Chemistry B; 7/21/2005, Vol. 109 Issue 28, p13798-13810, 13p

Molecular Dynamics with the United-Residue Model of Polypeptide Chains. I. Lagrange Equations of Motion and Tests of Numerical Stability in the Microcanonical Mode.

Authors: Khalili, Mey Liwo, Adam Rakowski, Franciszek et al.

Source: Journal of Physical Chemistry B; 7/21/2005, Vol. 109 Issue 28, p13785-13797, 13p