Lista de obras -

5-HT2 receptor affinity, docking studies and pharmacological evaluation of a series of 1,3-disubstituted thiourea derivatives

artículo científico publicado en 2016

A protocol for CABS-dock protein-peptide docking driven by side-chain contact information.

artículo científico publicado en 2017

Aggrescan3D (A3D) 2.0: prediction and engineering of protein solubility

artículo científico publicado en 2019

Aggrescan3D standalone package for structure-based prediction of protein aggregation properties

scientific article published on 01 October 2019

Backbone building from quadrilaterals: a fast and accurate algorithm for protein backbone reconstruction from alpha carbon coordinates

artículo científico publicado en 2007

CABS-dock standalone: a toolbox for flexible protein-peptide docking

scientific article published on 01 October 2019

CABS-dock web server for the flexible docking of peptides to proteins without prior knowledge of the binding site

artículo científico publicado en 2015

CABS-flex 2.0: a web server for fast simulations of flexibility of protein structures.

artículo científico publicado en 2018

CABS-flex predictions of protein flexibility compared with NMR ensembles. ⬇️

artículo científico publicado en 2014

CABS-flex standalone: a simulation environment for fast modeling of protein flexibility.

artículo científico publicado en 2019

CABS-flex: server for fast simulation of protein structure fluctuations ⬇️

artículo científico publicado el 8 de mayo de 2013

CABS-fold: Server for the de novo and consensus-based prediction of protein structure

artículo científico publicado en 2013

Characterization of protein-folding pathways by reduced-space modeling

artículo científico publicado en 2007

Coarse-Grained Modeling of Protein Dynamics

artículo científico publicado en 2014

Coarse-Grained Protein Models and Their Applications

artículo científico publicado en 2016

Coarse-Grained Protein Models in Structure Prediction

artículo científico publicado en 2014

Coarse-Grained Simulations of Membrane Insertion and Folding of Small Helical Proteins Using the CABS Model

artículo científico publicado en 2016

Combining coarse-grained protein models with replica-exchange all-atom molecular dynamics.

artículo científico publicado en 2013

Computational reconstruction of atomistic protein structures from coarse-grained models

scientific article published on 26 December 2019

Consistent View of Protein Fluctuations from All-Atom Molecular Dynamics and Coarse-Grained Dynamics with Knowledge-Based Force-Field

artículo científico publicado en 2012

Docking interactions determine early cleavage events in insulin proteolysis by pepsin: Experiment and simulation

artículo científico publicado en 2020

Erratum to: One-Dimensional Structural Properties of Proteins in the Coarse-Grained CABS Model

artículo científico publicado en 2017

Flexible docking of peptides to proteins using CABS-dock

artículo científico publicado en 2019

Folding pathway of the b1 domain of protein G explored by multiscale modeling

artículo científico publicado en 2008

From Coarse-Grained to Atomic-Level Characterization of Protein Dynamics: Transition State for the Folding of B Domain of Protein A ⬇️

artículo científico publicado el 19 de abril de 2012

Highly Flexible Protein-Peptide Docking Using CABS-Dock.

artículo científico publicado en 2017

Kinetics and mechanical stability of the fibril state control fibril formation time of polypeptide chains: A computational study

artículo científico publicado en 2018

Mechanism of Folding and Binding of an Intrinsically Disordered Protein As Revealed by ab Initio Simulations.

artículo científico publicado en 2014

Modeling EphB4-EphrinB2 protein-protein interaction using flexible docking of a short linear motif

artículo científico publicado en 2017

Modeling of Disordered Protein Structures Using Monte Carlo Simulations and Knowledge-Based Statistical Force Fields ⬇️

artículo científico

Modeling of Disordered Protein Structures Using Monte Carlo Simulations and Knowledge-Based Statistical Force Fields

artículo científico publicado en 2018

Modeling of Protein Structural Flexibility and Large-Scale Dynamics: Coarse-Grained Simulations and Elastic Network Models ⬇️

artículo científico publicado en 2018

Modeling of Protein Structural Flexibility and Large-Scale Dynamics: Coarse-grained Simulations and Elastic Network Models

artículo científico publicado en 2018

Modeling of protein-peptide interactions using the CABS-dock web server for binding site search and flexible docking.

artículo científico publicado en 2015

One-Dimensional Structural Properties of Proteins in the Coarse-Grained CABS Model

artículo científico publicado en 2017

Protein Dynamics Simulations Using Coarse-Grained Models

artículo científico publicado en 2018

Protein Structure Prediction Using Coarse-Grained Models

artículo científico publicado en 2018

Protein-peptide docking using CABS-dock and contact information

scientific article published on 01 November 2019

Protein-peptide docking: opportunities and challenges

artículo científico publicado en 2018

Protein-peptide molecular docking with large-scale conformational changes: the p53-MDM2 interaction.

artículo científico publicado en 2016

Protein-protein docking with large-scale backbone flexibility using coarse-grained Monte-Carlo simulations

artículo científico publicado en 2021

Protocols for All-Atom Reconstruction and High-Resolution Refinement of Protein-Peptide Complex Structures

artículo científico publicado en 2020

Protocols for Fast Simulations of Protein Structure Flexibility Using CABS-Flex and SURPASS

artículo científico publicado en 2020

Protocols for efficient simulations of long-time protein dynamics using coarse-grained CABS model

artículo científico publicado en 2014

Simulation of chaperonin effect on protein folding: a shift from nucleation-condensation to framework mechanism

artículo científico publicado en 2011

Synthesis, structural and antimicrobial studies of type II topoisomerase-targeted copper(II) complexes of 1,3-disubstituted thiourea ligands.

artículo científico publicado en 2018

The Effect of Conjugation of Ciprofloxacin and Moxifloxacin with Fatty Acids on Their Antibacterial and Anticancer Activity

artículo científico publicado en 2022

Towards the high-resolution protein structure prediction. Fast refinement of reduced models with all-atom force field.

artículo científico publicado en 2007

Lista de obras de

5-HT2 receptor affinity, docking studies and pharmacological evaluation of a series of 1,3-disubstituted thiourea derivatives

A protocol for CABS-dock protein-peptide docking driven by side-chain contact information.

Aggrescan3D (A3D) 2.0: prediction and engineering of protein solubility

Aggrescan3D standalone package for structure-based prediction of protein aggregation properties

Backbone building from quadrilaterals: a fast and accurate algorithm for protein backbone reconstruction from alpha carbon coordinates

CABS-dock standalone: a toolbox for flexible protein-peptide docking

CABS-dock web server for the flexible docking of peptides to proteins without prior knowledge of the binding site

CABS-flex 2.0: a web server for fast simulations of flexibility of protein structures.

CABS-flex predictions of protein flexibility compared with NMR ensembles. ⬇️

CABS-flex standalone: a simulation environment for fast modeling of protein flexibility.

CABS-flex: server for fast simulation of protein structure fluctuations ⬇️

CABS-fold: Server for the de novo and consensus-based prediction of protein structure

Characterization of protein-folding pathways by reduced-space modeling

Coarse-Grained Modeling of Protein Dynamics

Coarse-Grained Protein Models and Their Applications

Coarse-Grained Protein Models in Structure Prediction

Coarse-Grained Simulations of Membrane Insertion and Folding of Small Helical Proteins Using the CABS Model

Combining coarse-grained protein models with replica-exchange all-atom molecular dynamics.

Computational reconstruction of atomistic protein structures from coarse-grained models

Consistent View of Protein Fluctuations from All-Atom Molecular Dynamics and Coarse-Grained Dynamics with Knowledge-Based Force-Field

Docking interactions determine early cleavage events in insulin proteolysis by pepsin: Experiment and simulation

Erratum to: One-Dimensional Structural Properties of Proteins in the Coarse-Grained CABS Model

Flexible docking of peptides to proteins using CABS-dock

Folding pathway of the b1 domain of protein G explored by multiscale modeling

From Coarse-Grained to Atomic-Level Characterization of Protein Dynamics: Transition State for the Folding of B Domain of Protein A ⬇️

Highly Flexible Protein-Peptide Docking Using CABS-Dock.

Kinetics and mechanical stability of the fibril state control fibril formation time of polypeptide chains: A computational study

Mechanism of Folding and Binding of an Intrinsically Disordered Protein As Revealed by ab Initio Simulations.

Modeling EphB4-EphrinB2 protein-protein interaction using flexible docking of a short linear motif

Modeling of Disordered Protein Structures Using Monte Carlo Simulations and Knowledge-Based Statistical Force Fields ⬇️

Modeling of Disordered Protein Structures Using Monte Carlo Simulations and Knowledge-Based Statistical Force Fields

Modeling of Protein Structural Flexibility and Large-Scale Dynamics: Coarse-Grained Simulations and Elastic Network Models ⬇️

Modeling of Protein Structural Flexibility and Large-Scale Dynamics: Coarse-grained Simulations and Elastic Network Models

Modeling of protein-peptide interactions using the CABS-dock web server for binding site search and flexible docking.

One-Dimensional Structural Properties of Proteins in the Coarse-Grained CABS Model

Protein Dynamics Simulations Using Coarse-Grained Models

Protein Structure Prediction Using Coarse-Grained Models

Protein-peptide docking using CABS-dock and contact information

Protein-peptide docking: opportunities and challenges

Protein-peptide molecular docking with large-scale conformational changes: the p53-MDM2 interaction.

Protein-protein docking with large-scale backbone flexibility using coarse-grained Monte-Carlo simulations

Protocols for All-Atom Reconstruction and High-Resolution Refinement of Protein-Peptide Complex Structures

Protocols for Fast Simulations of Protein Structure Flexibility Using CABS-Flex and SURPASS

Protocols for efficient simulations of long-time protein dynamics using coarse-grained CABS model

Simulation of chaperonin effect on protein folding: a shift from nucleation-condensation to framework mechanism

Synthesis, structural and antimicrobial studies of type II topoisomerase-targeted copper(II) complexes of 1,3-disubstituted thiourea ligands.

The Effect of Conjugation of Ciprofloxacin and Moxifloxacin with Fatty Acids on Their Antibacterial and Anticancer Activity

Towards the high-resolution protein structure prediction. Fast refinement of reduced models with all-atom force field.