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A. Liwo.
The Unified Coarse Grained model of biological macromolecules: principles and applications.
XLVIII Annual Meeting of the Argentinian Biophysical Society, San Luis,
Argentina, Nov. 27-29, 2019. Plenary lecture, presenter: A. Liwo.
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A. Liwo.
The scale-consistent UNICORN package for large-scale simulations of biological macromolecules.
E-CAM Extended Software Development Workshop: Inverse Molecular Design &
Inference: building a Molecular Foundry I, Clifden, Galway, Ireland, November 1-9,
2019. Invited talk, presenter: A. Liwo.
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A. Liwo, C. Czaplewski, A.K. Sieradzan, E. Lubecka, A. Lipska, Ł. Golon, A.
Karczyńska, P. Krupa, M. Maciejczyk.
A scale-consistent approach to coarse graining biomolecular systems. The 19th KIAS Conference
on Protein Structure and Function, Korea Institute for Advanced Study, Seoul, Korea,
September 26-September 28, 2019. Invited talk, presenter: A. Liwo.
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A. Liwo.
New scale-consistent UNRES force field for protein simulatios. CECAM Protein Simulations
– Current State of Art, Tel Aviv, Israel, October 22-24, 2019. Invited talk,
presenter: A. Liwo.
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A. Liwo, E.A. Lubecka, C. Czaplewski, A.K. Sieradzan.
Simulations of protein structure, dynamics, and thermodynamics with the coarse-grained
UNRES force field and massively parallel computers. HPC 2019 Bulgaria, September 2-6,
2019, Borovets, Bulgaria. Invited talk, presenter: A. Liwo.
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A. Liwo, E.A. Lubecka.
Contact-distance restraints in a prediction of protein structures
with UNRES force field.
Workshop on Mathematics and Computer Science in Modeling and Understanding of Structure and Dynamics of Biomolecules,
Banff International Research Station for Mathematical Innovation and Discovery, Vancouver, Canada, August 9 - 11, 2019. Poster presentation, presenter: E. Lubecka.
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A. Liwo, C. Czaplewski.
Extension of the force matching method to anisotropic coarse-grained transferable force fields: application to the UNRES model of proteins.
Workshop on Mathematics and Computer Science in Modeling and Understanding of Structure and Dynamics of Biomolecules,
Banff International Research Station for Mathematical Innovation and Discovery, Vancouver, Canada, August 9 - 11, 2019. Poster presentation, presenter: A. Liwo.
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Physics-based scale- and geometry-consistent coarse-grained potentials,
A. Liwo, A. K. Sieradzan, E. Lubecka, A. Lipska, Ł. Golon, C. Czaplewski,
Workshop Multi-scale Modelling, Lorenz Center, Leiden, The Netherlands, June 24-June 28, 2019
presentation file (PPTX format; 13 MB)
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J. A. Liwo, C.R. Czaplewski.
Extension of the Force Matching Method to Anisotropic Coarse-Grained Transferable Force Fields: Application to the Unres Model of Proteins.
63rd Annual Meeting of the Biophysical Society, Baltimore, MD, March 02-06, 2019
Biophys. J., 2019, 116 (3) Suppl. 1, 145A, Meeting Abstract: 719-Pos
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E.A. Lubecka.
Contact- and Data-assisted Modeling of Protein Structure with the UNRES Force Field, 4th International Conference on Mathematical & Computational Medicine, Riviera Cancun, Mexico, December 3-7, 2018, invited lecture, presenter: E.A. Lubecka
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A.S. Karczyńska, C. Czaplewski.
Protein-protein docking by simulations with the coarse-grained UNRES force field. 4th International Conference on Mathematical & Computational Medicine, Mexico, December 3-7, 2018, invited talk, presenter: A. Karczyńska.
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E.A. Lubecka, A.G. Lipska, A.K. Sieradzan, K. Zięba, A.S. Karczyńska, C. Sikorska, U. Uciechowska, S.A. Samsonov, P. Krupa, M.A. Mozolewska, Ł. Golon, A. Giełdoń, C. Czaplewski, R. Ślusarz, M. Ślusarz, A. Liwo.
Use of improved UNRES force field and replica-exchange molecular dynamics in physics-based template-free and data-assisted prediction of protein structures. Critical Assessment of Techniques for Protein Structure Prediction, Thirteenth meeting Riviera Maya, Mexico, December 1-4, 2018. Book of Abstracts, pp. 183-184. Poster and oral presentation.
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E.A. Lubecka, A.G. Lipska, A.K. Sieradzan, A. Liwo, I. Anishchanka, D. Kim, S.N. Crivelli.
Prediction of protein structure with the improve UNRES force field aided by contact prediction derived from evolutionarily related proteins. Critical Assessment of Techniques for Protein Structure Prediction, Thirteenth meeting Riviera Maya, Mexico, December 1-4, 2018. Book of Abstracts, pp. 197-198. Poster presentation, presenter: E.A. Lubecka.
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A. Liwo, A. K. Sieradzan, E. Lubecka, A. Lipska, Ł. Golon, C. Czaplewski.
Physics-based scale- and geometry-consistent coarse-grained potentials. 26th Conference on Current Trends in Computational Chemistry 2018 Jackson, MS, November 9 - November 10, 2018. Invited talk presented by A. Liwo.
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E.A. Lubecka, A. Liwo.
Replica exchange coarse-grained molecular dynamics simulations of proteins with distance restraints, 4th Polish-Korean Conference on Protein Folding: Theoretical and Experimental Approaches, Iława, Poland, September 9-13, 2018, P17, pp. 46 Poster presentation, presenter: E.A. Lubecka.
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P. Krupa, A.S. Karczyńska, A. Liwo, C. Czaplewski.
Initial protocol for Protein-protein docking by MREMD simulations with the coarse-grained UNRES force field.Fourth Polish-Korean Conference on “Protein Folding: Theoretical and Experimental Approaches”, Iława, Poland, September 9-13, 2018. Book of Abstracts, pp. 42. Poster presentation, presenter: P. Krupa.
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A. Augustynowicz.
Some remarks on stability of differential equations on time scales. Emerging Trends in Aplied Mathematics and Mechanics, Kraków, Poland, June 18-22, 2018, oral presentation, presenter: A. Augustynowicz.
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A. Liwo, A.K. Sieradzan, E.A. Lubecka, A. Lipska, Ł. Golon, C. Czaplewski.
Systematic design of physics-based scale-consistent coarse-grained potentials for the simulations of biomolecules and nanostructures Bio-, chem-, and nanoinformatics approaches to study bionano interface Dublin, Ireland, May 23-25, 2018. Invited talk, presenter: A. Liwo.
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