Lista de obras -

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

artículo científico publicado en 2014

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

artículo científico publicado en 2018

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.

artículo científico publicado en 2017

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

artículo científico publicado en 2017

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

artículo científico publicado en 2019

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

artículo científico publicado en 2018

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.

artículo científico publicado en 2017

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

artículo científico publicado en 2013

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

artículo científico publicado en 2015

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

artículo científico publicado en 2016

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

artículo científico publicado en 2015

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

artículo científico publicado en 2017

Preventing fibril formation of a protein by selective mutation

artículo científico publicado en 2015

Reoptimized UNRES Potential for Protein Model Quality Assessment

article

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

artículo científico publicado en 2016

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

artículo científico publicado en 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

artículo científico publicado en 2015

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

artículo científico publicado en 2020

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

artículo científico publicado en 2018

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

artículo científico publicado en 2016

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

artículo científico publicado en 2018

WeFold: a coopetition for protein structure prediction

artículo científico publicado en 2014

Lista de obras de

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