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List of works by Wieslaw Nowak

A comparative DFT study of substrates and products of industrial enzyme nitrile hydratase

A novel de novo mutation p.Ala428Asp in KRT5 gene as a cause of localized epidermolysis bullosa simplex

scientific article published on 20 May 2019

Communication: Entropic measure to prevent energy over-minimization in molecular dynamics simulations

scientific article published on 01 November 2015

Computer modelling of dynamics of Ser92X deoxymyoglobin mutants ⬇️

scientific article published on 01 January 1998

Conformational sampling of a biomolecular rugged energy landscape.

scientific article

Density functional study on geometry and electronic structure of nitrile hydratase active site model

Dominant ELOVL1 mutation causes neurological disorder with ichthyotic keratoderma, spasticity, hypomyelination and dysmorphic features

scientific article published in March 2018

Dynamics, nanomechanics and signal transduction in reelin repeats

scientific article published on 12 December 2019

Elastic properties of single amylose chains in water: a quantum mechanical and AFM study

scientific article

Fibronectin module FN(III)9 adsorption at contrasting solid model surfaces studied by atomistic molecular dynamics

scientific article published on 07 August 2014

How strong are hydrogen bonds in the peptide model?

scientific article published on 20 December 2019

In Search of Synergistic Insect Repellents: Modeling of Muscarinic GPCR Interactions with Classical and Bitopic Photoactive Ligands

scientific article published on 20 May 2022

Inferring pathological states in cortical neuron microcircuits

scientific article published on 12 September 2015

Insights into catalytic activity of industrial enzyme Co-nitrile hydratase. Docking studies of nitriles and amides

scientific article

Interactions of Sea Anemone Toxins with Insect Sodium Channel-Insights from Electrophysiology and Molecular Docking Studies

scientific article

Intracellular nanomanipulation by a photonic-force microscope with real-time acquisition of a 3D stiffness matrix

scientific article published on 24 June 2009

Kinetics of Huperzine A Dissociation from Acetylcholinesterase via Multiple Unbinding Pathways

scientific article published on 24 May 2018

Ligand diffusion in proteins via enhanced sampling in molecular dynamics.

scientific article

Locally enhanced sampling in free energy calculations: Application of mean field approximation to accurate calculation of free energy differences

Locally enhanced sampling molecular dynamics study of the dioxygen transport in human cytoglobin

scientific article published on 15 May 2007

Machine Learning Based Dimensionality Reduction Facilitates Ligand Diffusion Paths Assessment: A Case of Cytochrome P450cam

scientific article published on 18 March 2016

Mechanical aspects of nitrile hydratase enzymatic activity. Steered molecular dynamics simulations of Pseudonocardia thermophila JCM 3095

Mechanical transition in a highly stretched and torsionally constrained DNA

scientific article published on 27 February 2014

Memetic algorithms for ligand expulsion from protein cavities ⬇️

scientific article published in September 2015

Molecular Dynamics Simulations of Large Systems in Electronic Excited States

Molecular dynamics simulations of the photoactive protein nitrile hydratase

scientific article published on 30 January 2008

Molecular jamming--the cystine slipknot mechanical clamp in all-atom simulations

scientific article published on 01 February 2011

Nanomechanical unfolding of α-neurexin: A major component of the synaptic junction

Nanomechanics of Ig-like domains of human contactin (BIG-2).

scientific article

Nanomechanics of PCNA: A protein-made DNA sliding clamp

Nanomechanics of multidomain neuronal cell adhesion protein contactin revealed by single molecule AFM and SMD.

scientific article

Novel KRT14 mutation causing epidermolysis bullosa simplex with variable phenotype.

scientific article published in September 2014

Orthosteric muscarinic receptor activation by the insect repellent IR3535 opens new prospects in insecticide-based vector control

scientific article published on 22 April 2020

Oxygen diffusion in minihemoglobin from Cerebratulus lacteus: a locally enhanced sampling study

Photo-Switchable Sulfonylureas Binding to ATP-Sensitive Potassium Channel Reveal the Mechanism of Light-Controlled Insulin Release

scientific article published on 9 December 2021

Photoinduced transport in an H64Q neuroglobin antidote for carbon monoxide poisoning

scientific article published on 01 March 2018

Prebiotic Soup Components Trapped in Montmorillonite Nanoclay Form New Molecules: Car-Parrinello Ab Initio Simulations

scientific article published on 04 June 2019

Probing fibronectin-antibody interactions using AFM force spectroscopy and lateral force microscopy

scientific article published on 15 May 2015

Rare-event sampling in ligand diffusion: Reply to comments on "Ligand diffusion in proteins via enhanced sampling in molecular dynamics".

scientific article

Reaction path study of ligand diffusion in proteins: application of the self penalty walk (SPW) method to calculate reaction coordinates for the motion of CO through leghemoglobin

scientific article published in 1991

Some remarks on the interpretation of the spectral properties of prodan

Spacial models of malfunctioned protein complexes help to elucidate signal transduction critical for insulin release

scientific article published on 03 November 2018

Structural Determinants of Insulin Release: Disordered N-Terminal Tail of Kir6.2 Affects Potassium Channel Dynamics Through Interactions With Sulfonylurea Binding Region in a SUR1 Partner

scientific article published on 29 June 2020

Substituent-sensitive anisotropic rotations of 9-acetoxy-10-phenylanthracenes: fluorescence anisotropy decay and quantum-mechanical study

The Repellent DEET Potentiates Carbamate Effects via Insect Muscarinic Receptor Interactions: An Alternative Strategy to Control Insect Vector-Borne Diseases

scientific article

Thermodynamics of camphor migration in cytochrome P450cam by atomistic simulations

scientific article published on 10 August 2017

Topology and thermodynamics of gaseous ligands diffusion paths in human neuroglobin

scientific article published on 31 July 2008

Toward overcoming pyrethroid resistance in mosquito control: the role of sodium channel blocker insecticides

scientific article published on 30 March 2023

Towards A New Approach for the Description of Cyclo⁻2,4-Dihydroxybenzoate, A Substance Which Effectively Mimics Zearalenone in Imprinted Polymers Designed for Analyzing Selected Mycotoxins in Urine ⬇️

scientific article published on 29 March 2019

Transthyretin Induced Amyloidosis Interactions, Mechanisms and Potent Drugs Design

scientific article published in January 2014

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