List of works - Paweł Krupa

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

scientific article

Computational Model to Unravel the Function of Amyloid-β Peptides in Contact with a Phospholipid Membrane

scientific article published on 13 April 2020

Computational Studies of the Mechanical Stability for Single-Strand Break DNA

scientific article published on 16 August 2018

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

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

Improvement of the treatment of loop structures in the UNRES force field by inclusion of coupling between backbone- and side-chain-local conformational states.

scientific article

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

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

Structure and Physicochemical Properties of the Aβ42 Tetramer: Multiscale Molecular Dynamics Simulations

scientific article published on 14 August 2019

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

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

scientific article

WeFold: a coopetition for protein structure prediction

scientific article

What Makes Telomeres Unique?

scientific article published on 14 February 2017

List of works by Paweł Krupa

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

Computational Model to Unravel the Function of Amyloid-β Peptides in Contact with a Phospholipid Membrane

Computational Studies of the Mechanical Stability for Single-Strand Break DNA

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

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

Improvement of the treatment of loop structures in the UNRES force field by inclusion of coupling between backbone- and side-chain-local conformational states.

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

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.

Structure and Physicochemical Properties of the Aβ42 Tetramer: Multiscale Molecular Dynamics Simulations

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

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

WeFold: a coopetition for protein structure prediction

What Makes Telomeres Unique?