Author details

Full Name

Agnieszka G Lipska

Affiliation

ORCID

Career Start Year

2013

Papers

H Index

Expertise

CM4AI Collaborator

PMID	Paper Title	Journal Title	Published Year
36799410	Long-time scale simulations of virus-like particles from three human-norovirus strains.		2023
36378078	Optimization of parallel implementation of UNRES package for coarse-grained simulations to treat large proteins.	Journal of Computational Chemistry	2023
37889895	Toward Consistent Physics-Based Modeling of Local Backbone Structures and Chirality Change of Proteins in Coarse-Grained Approaches.		2023
37338530	UNRES-GPU for physics-based coarse-grained simulations of protein systems at biological time- and size-scales.		2023
34845623	Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field.	Methods in Molecular Biology	2022
35748949	Coarse-grained modeling of the calcium, sodium, magnesium and potassium cations interacting with proteins.	Journal of Molecular Modeling	2022
34419932	Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment.	Journal of Molecular Graphics and Modelling	2021
33682874	Further analyses of APRIL/APRIL-receptor/glycosaminoglycan interactions by biochemical assays linked to computational studies.	Glycobiology	2021
34572559	Theory and Practice of Coarse-Grained Molecular Dynamics of Biologically Important Systems.	Biomolecules	2021
31999919	Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13.	J Chem Inf Model	2020
32145953	Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers.	Progress in Molecular Biology and Translational Science	2020
31376733	Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment.	Journal of Molecular Graphics and Modelling	2019
31612567	Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment.	Proteins	2019
31658765	Analysis of Procollagen C-Proteinase Enhancer-1/Glycosaminoglycan Binding Sites and of the Potential Role of Calcium Ions in the Interaction.	Int J Mol Sci	2019
31005069	A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-f	Journal of Chemical Physics	2019
29161634	Shielding effect in protein folding.	Journal of Molecular Graphics and Modelling	2018
29967418	An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12.	Sci Rep	2018
27179474	Molecular dynamics of protein A and a WW domain with a united-residue model including hydrodynamic interaction.	Journal of Chemical Physics	2016
27378298	Performance of protein-structure predictions with the physics-based UNRES force field in CASP11.		2016
25731877	Studies of conformational changes of an arginine-binding protein from Thermotoga maritima in the presence and absence of ligand via molecular dynamics simulations with the coarse-grained UNRES force field.	Journal of Molecular Modeling	2015
24004839	Evolutionary diversification and characterization of the eubacterial gene family encoding DXR type II, an alternative isoprenoid biosynthetic enzyme.	BMC Evolutionary Biology	2013