List of works - Magdalena A Mozolewska

A unified coarse-grained model of biological macromolecules based on mean-field multipole-multipole interactions

scientific article

An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12.

scientific article

Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment

scientific article published on 25 October 2019

Dynamics of Disulfide-Bond Disruption and Formation in the Thermal Unfolding of Ribonuclease A.

scientific article

Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins

scientific article

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

scientific article published on 26 July 2019

Extension of coarse-grained UNRES force field to treat carbon nanotubes.

scientific article

Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13

scientific article published on 11 February 2020

Inhibitors or toxins? Large library target-specific screening of fullerene-based nanoparticles for drug design purpose.

scientific article

Lessons from application of the UNRES force field to predictions of structures of CASP10 targets

scientific article

Molecular modeling of the binding modes of the iron-sulfur protein to the Jac1 co-chaperone from Saccharomyces cerevisiae by all-atom and coarse-grained approaches

scientific article published on 6 June 2015

Performance of protein-structure predictions with the physics-based UNRES force field in CASP11.

scientific article

Prediction of Protein Structure by Template-Based Modeling Combined with the UNRES Force Field.

scientific article

Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information

scientific article published on 14 November 2017

Preventing fibril formation of a protein by selective mutation

scientific article

Reoptimized UNRES Potential for Protein Model Quality Assessment

article

Role of the sulfur to α-carbon thioether bridges in thurincin H.

scientific article published on 11 September 2016

Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers

scientific article published on 24 February 2020

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

scientific article published on 3 March 2015

UNRES-Dock - protein-protein and peptide-protein docking by coarse-grained replica-exchange MD simulations

scientific article published on 18 October 2020

Unveiling new interdependencies between significant DNA methylation sites, gene expression profiles and glioma patients survival.

scientific article published on 13 March 2018

Use of Restraints from Consensus Fragments of Multiple Server Models To Enhance Protein-Structure Prediction Capability of the UNRES Force Field

scientific article

Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets

scientific article published on 24 May 2018

WeFold: a coopetition for protein structure prediction

scientific article

List of works by Magdalena A Mozolewska

A unified coarse-grained model of biological macromolecules based on mean-field multipole-multipole interactions

An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12.

Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment

Dynamics of Disulfide-Bond Disruption and Formation in the Thermal Unfolding of Ribonuclease A.

Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins

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

Extension of coarse-grained UNRES force field to treat carbon nanotubes.

Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13

Inhibitors or toxins? Large library target-specific screening of fullerene-based nanoparticles for drug design purpose.

Lessons from application of the UNRES force field to predictions of structures of CASP10 targets

Molecular modeling of the binding modes of the iron-sulfur protein to the Jac1 co-chaperone from Saccharomyces cerevisiae by all-atom and coarse-grained approaches

Performance of protein-structure predictions with the physics-based UNRES force field in CASP11.

Prediction of Protein Structure by Template-Based Modeling Combined with the UNRES Force Field.

Prediction of protein structure with the coarse-grained UNRES force field assisted by small X-ray scattering data and knowledge-based information

Preventing fibril formation of a protein by selective mutation

Reoptimized UNRES Potential for Protein Model Quality Assessment

Role of the sulfur to α-carbon thioether bridges in thurincin H.

Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers

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

UNRES-Dock - protein-protein and peptide-protein docking by coarse-grained replica-exchange MD simulations

Unveiling new interdependencies between significant DNA methylation sites, gene expression profiles and glioma patients survival.

Use of Restraints from Consensus Fragments of Multiple Server Models To Enhance Protein-Structure Prediction Capability of the UNRES Force Field

Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets

WeFold: a coopetition for protein structure prediction