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List of works by Sebastian Kmiecik

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

scientific article published on 30 March 2016

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

scientific article published on 18 August 2017

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

scientific article published on 01 July 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

scientific article

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

scientific article published on 5 May 2015

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

scientific article published in July 2018

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

scientific article published on 15 April 2014

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

scientific article published in February 2019

CABS-flex: Server for fast simulation of protein structure fluctuations

scientific article

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

scientific article

Characterization of protein-folding pathways by reduced-space modeling

scientific article

Coarse-Grained Modeling of Protein Dynamics

scientific article published in 2014

Coarse-Grained Protein Models and Their Applications

scientific article

Coarse-Grained Protein Models in Structure Prediction

scientific article published in 2014

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

scientific article published on 24 October 2016

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

scientific article published on 10 May 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

scientific article published on 18 December 2012

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

scientific article published on 27 January 2020

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

scientific article published in January 2017

Flexible docking of peptides to proteins using CABS-dock

scientific article published on 11 November 2019

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

scientific article

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

scientific article published on April 19, 2012

Highly Flexible Protein-Peptide Docking Using CABS-Dock.

scientific article published in January 2017

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

scientific article published on 01 June 2018

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

scientific article

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

scientific article published on 18 August 2017

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

scientific article published on 31 January 2019

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

scientific article published on 17 December 2018

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

scientific article published on 06 November 2018

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

scientific article published on 15 October 2018

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

scientific article published on 9 July 2015

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

scientific article

Protein Dynamics Simulations Using Coarse-Grained Models

scientific article published on 29 November 2018

Protein Structure Prediction Using Coarse-Grained Models

scientific article published on 29 November 2018

Protein-peptide docking using CABS-dock and contact information

scientific article published on 01 November 2019

Protein-peptide docking: opportunities and challenges.

scientific article published on 4 May 2018

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

scientific article published on December 2016

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

scientific article published on 23 February 2021

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

scientific article published on 01 January 2020

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

scientific article published on 01 January 2020

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

scientific article published in January 2014

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

scientific article

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

scientific article published on 16 January 2018

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

scientific article published on 2 June 2022

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

scientific article

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