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List of works by Jack Tuszyński

A Novel Interaction Between the TLR7 and a Colchicine Derivative Revealed Through a Computational and Experimental Study.

scientific article published on 16 February 2018

A Refined Model of the HCV NS5A protein bound to daclatasvir explains drug-resistant mutations and activity against divergent genotypes.

scientific article published on 14 April 2014

A computational approach for predicting off-target toxicity of antiviral ribonucleoside analogues to mitochondrial RNA polymerase.

scientific article

A computational method for selecting short peptide sequences for inorganic material binding.

scientific article published on 22 July 2017

A computational model for overcoming drug resistance using selective dual-inhibitors for aurora kinase A and its T217D variant

scientific article published on 5 November 2013

A computational strategy to select optimized protein targets for drug development toward the control of cancer diseases

scientific article

A computationally designed DNA aptamer template with specific binding to phosphatidylserine

scientific article

A dialogue on the issue of the "quantum brain" between consciousness and unconsciousness.

scientific article

A human ether-á-go-go-related (hERG) ion channel atomistic model generated by long supercomputer molecular dynamics simulations and its use in predicting drug cardiotoxicity.

scientific article published on 13 August 2014

A mean field Ising model for cortical rotation in amphibian one-cell stage embryos.

scientific article published on 22 May 2012

A model of competing saturable kinetic processes with application to the pharmacokinetics of the anticancer drug paclitaxel.

scientific article published in April 2011

A new antiproliferative noscapine analogue: chemical synthesis and biological evaluation

scientific article (publication date: 28 June 2016)

A new method for protein characterization and classification using geometrical features for 3D face analysis: an example of tubulin structures

scientific article published on 11 August 2020

A physiologically-based flow network model for hepatic drug elimination I: regular lattice lobule model

scientific article published on 5 September 2013

A physiologically-based flow network model for hepatic drug elimination II: variable lattice lobule models.

scientific article published on 5 September 2013

A physiologically-based flow network model for hepatic drug elimination III: 2D/3D DLA lobule models.

scientific article published on 3 March 2016

A simple method for finding a protein's ligand-binding pockets.

scientific article

A strategy to identify housekeeping genes suitable for analysis in breast cancer diseases ⬇️

scientific article

A unified approach to computational drug discovery

scientific article published on 16 July 2015

Algebraic and topological indices of molecular pathway networks in human cancers.

scientific article published on December 2015

All Wired Up: An Exploration of the Electrical Properties of Microtubules and Tubulin

scientific article published on 19 November 2020

An Overview of Molecular Modeling for Drug Discovery with Specific Illustrative Examples of Applications

scientific article published on 30 April 2019

An Overview of Sub-Cellular Mechanisms Involved in the Action of TTFields.

scientific article

An accurate method for prediction of protein-ligand binding site on protein surface using SVM and statistical depth function

scientific article published on 30 September 2013

An integrated multidisciplinary model describing initiation of cancer and the Warburg hypothesis.

scientific article published on 10 June 2013

An investigation of the plausibility of stochastic resonance in tubulin dimers

scientific article published on 07 October 2011

Analysis of the binding mode of laulimalide to microtubules: Establishing a laulimalide-tubulin pharmacophore

scientific article

Analysis of the strength of interfacial hydrogen bonds between tubulin dimers using quantum theory of atoms in molecules

scientific article published on August 2014

Anesthetic Alterations of Collective Terahertz Oscillations in Tubulin Correlate with Clinical Potency: Implications for Anesthetic Action and Post-Operative Cognitive Dysfunction.

scientific article

Anesthetics act in quantum channels in brain microtubules to prevent consciousness.

scientific article

Antiproliferative Activity and Molecular Docking of Novel Double-Modified Colchicine Derivatives

scientific article published on 01 November 2018

Antitumor Activity of Lankacidin Group Antibiotics Is Due to Microtubule Stabilization via a Paclitaxel-like Mechanism.

scientific article published on 08 October 2016

Aurintricarboxylic acid structure modifications lead to reduction of inhibitory properties against virulence factor YopH and higher cytotoxicity

scientific article published on 25 August 2016

Automatic prediction of tumour malignancy in breast cancer with fractal dimension

scientific article

Biological wires, communication systems, and implications for disease.

scientific article

Biophysical insights into cancer transformation and treatment.

scientific article published on 11 June 2013

Bridging the gap between the technological singularity and mainstream medicine: highlighting a course on technology and the future of medicine

scientific article

Building a 3D Virtual Liver: Methods for Simulating Blood Flow and Hepatic Clearance on 3D Structures

scientific article

Characterization of the AXH domain of Ataxin-1 using enhanced sampling and functional mode analysis.

scientific article published on 15 February 2016

Charge-based interactions of antimicrobial peptides and general drugs with lipid bilayers

scientific article published on 27 November 2019

Chemical synthesis, pharmacological evaluation and in silico analysis of new 2,3,3a,4,5,6-hexahydrocyclopenta[c]pyrazole derivatives as potential anti-mitotic agents

scientific article published on 9 July 2016

Chemotherapy drugs form ion pores in membranes due to physical interactions with lipids

scientific article published on 01 December 2012

Chicoric acid binds to two sites and decreases the activity of the YopH bacterial virulence factor

scientific article published on January 2016

Comparative analyses and structural insights of the novel cytochrome P450 fusion protein family CYP5619 in Oomycetes.

scientific article published on 26 April 2018

Computable features required to evaluate the efficacy of drugs and a universal algorithm to find optimally effective drug in a drug complex

scientific article

Computational Characterization of Small Molecules Binding to the Human XPF Active Site and Virtual Screening to Identify Potential New DNA Repair Inhibitors Targeting the ERCC1-XPF Endonuclease.

scientific article published on 30 April 2018

Computational predictions of volatile anesthetic interactions with the microtubule cytoskeleton: implications for side effects of general anesthesia

scientific article

Computer-aided drug design of small molecule inhibitors of the ERCC1-XPF protein-protein interaction

scientific article published on 20 January 2020

Conformational Dynamics and Stability of U-Shaped and S-Shaped Amyloid β Assemblies.

scientific article published on 14 February 2018

Conformational fluctuations of the AXH monomer of Ataxin-1.

scientific article

DNA polymerase beta (pol β) inhibitors: a comprehensive overview.

scientific article published on 25 April 2012

Design principles for cancer therapy guided by changes in complexity of protein-protein interaction networks

scientific article

Designing and Testing of Novel Taxanes to Probe the Highly Complex Mechanisms by Which Taxanes Bind to Microtubules and Cause Cytotoxicity to Cancer Cells

scientific article published on 8 June 2015

Destabilizing the AXH Tetramer by Mutations: Mechanisms and Potential Antiaggregation Strategies

scientific article published in January 2018

Detailed Per-residue Energetic Analysis Explains the Driving Force for Microtubule Disassembly

scientific article (publication date: June 2015)

Detailed computational study of the active site of the hepatitis C viral RNA polymerase to aid novel drug design.

scientific article published on 24 October 2013

Determination of noscapine's localization and interaction with the tubulin-α/β heterodimer

scientific article published on 06 September 2011

Discovery of Small Molecule Inhibitors that Interact with γ-Tubulin

scientific article published on 15 February 2012

Diseases caused by defects of energy level and loss of coherence in living cells

scientific article published on June 2015

Docosahexaenoic Acid Inhibits PTP1B Phosphatase and the Viability of MCF-7 Breast Cancer Cells

scientific article published on 23 October 2019

Document of Trapani on animal consciousness and quantum brain function: A hypothesis

scientific article published on 7 November 2017

EDEn-Electroceutical Design Environment: Ion Channel Tissue Expression Database with Small Molecule Modulators

article

Effect of CH-35, a novel anti-tumor colchicine analogue, on breast cancer cells overexpressing the βIII isotype of tubulin.

scientific article published on 21 December 2015

Effects of temperature on the p53-DNA binding interactions and their dynamical behavior: comparing the wild type to the R248Q mutant.

scientific article

Elucidating the mechanism of action of the clinically approved taxanes: a comprehensive comparison of local and allosteric effects

scientific article

Emerging microtubule targets in glioma therapy

scientific article published on March 2015

Emission of mitochondrial biophotons and their effect on electrical activity of membrane via microtubules.

scientific article published on March 2011

Entropic analysis reveals a connection between the recurrence of cancer and chemotherapy.

scientific article

Experimental and computational study of the interaction of novel colchicinoids with a recombinant human αI/βI-tubulin heterodimer.

scientific article published in July 2013

Explaining the Microtubule Energy Balance: Contributions Due to Dipole Moments, Charges, van der Waals and Solvation Energy

scientific article published on 22 September 2017

GLUT1 and TUBB4 in Glioblastoma Could be Efficacious Targets

scientific article published on 05 September 2019

Geometrical comparison of two protein structures using Wigner-D functions.

scientific article

Gibbs free energy as a measure of complexity correlates with time within C. elegans embryonic development

scientific article published on 19 September 2017

Gibbs free energy of protein-protein interactions correlates with ATP production in cancer cells

scientific article published on 16 December 2019

Homology and molecular dynamics models of toll-like receptor 7 protein and its dimerization

scientific article published on 20 March 2014

How signals of calcium ions initiate the beats of cilia and flagella

scientific article published on 13 June 2019

In silico studies and fluorescence binding assays of potential anti-prion compounds reveal an important binding site for prion inhibition from PrPC to PrPSc

scientific article published on 15 July 2014

Inactivation of Protein Tyrosine Phosphatases by Peracids Correlates with the Hydrocarbon Chain Length

scientific article

Inhibitory Activity of Iron Chelators ATA and DFO on MCF-7 Breast Cancer Cells and Phosphatases PTP1B and SHP2.

scientific article published in September 2017

Insights into the Effect of the G245S Single Point Mutation on the Structure of p53 and the Binding of the Protein to DNA.

scientific article published on 16 August 2017

Integration of intracellular signaling: Biological analogues of wires, processors and memories organized by a centrosome 3D reference system

scientific article published on 22 August 2018

Interactomes, manufacturomes and relational biology: analogies between systems biology and manufacturing systems.

scientific article published on 20 June 2011

Investigation of the Electrical Properties of Microtubule Ensembles under Cell-Like Conditions

scientific article published on 05 February 2020

Ion channel and neurotransmitter modulators as electroceutical approaches to the control of cancer.

scientific article published on 29 May 2017

Ion pore formation in lipid bilayers and related energetic considerations.

scientific article published on January 2012

Isolation of soluble scFv antibody fragments specific for small biomarker molecule, L-Carnitine, using phage display

scientific article published on 19 November 2015

Keeping time: could quantum beating in microtubules be the basis for the neural synchrony related to consciousness?

scientific article published in June 2014

Linoleic acid: Is this the key that unlocks the quantum brain? Insights linking broken symmetries in molecular biology, mood disorders and personalistic emergentism

scientific article

Magnetic Monopole Search with the Full MoEDAL Trapping Detector in 13 TeV pp Collisions Interpreted in Photon-Fusion and Drell-Yan Production

scientific article published on 01 July 2019

Mathematical and computational modeling in biology at multiple scales

scientific article

Microtubules as Sub-Cellular Memristors

scientific article published on 07 February 2020

Modeling the Colchicum autumnale Tubulin and a Comparison of Its Interaction with Colchicine to Human Tubulin

scientific article

Modeling the energetic cost of cancer as a result of altered energy metabolism: implications for cachexia.

scientific article

Modeling the yew tree tubulin and a comparison of its interaction with paclitaxel to human tubulin.

scientific article published on 26 July 2012

Modelling DNA Repair Pathways: Recent Advances and Future Directions

scientific article published on 20 April 2016

Molecular Dynamics Simulations Indicate the SARS-CoV-2 Mpro Is Not a Viable Target for Small-Molecule Inhibitors Design

scientific article (preprint)

Molecular dynamics modeling of tubulin C-terminal tail interactions with the microtubule surface

scientific article published on 26 August 2011

Molecular evolutionary dynamics of cytochrome P450 monooxygenases across kingdoms: Special focus on mycobacterial P450s

scientific article published on 12 September 2016

Molecular orbitals of delocalized electron clouds in neuronal domains

scientific article published on 11 June 2019

Near death experiences: a multidisciplinary hypothesis

scientific article

New Series of Double-Modified Colchicine Derivatives: Synthesis, Cytotoxic Effect and Molecular Docking

scientific article published on 02 August 2020

New design of nucleotide excision repair (NER) inhibitors for combination cancer therapy.

scientific article published on 26 February 2016

Non-Equilibrium Quantum Electrodynamics in Open Systems as a Realizable Representation of Quantum Field Theory of the Brain

scientific article published on 27 December 2019

Nonlinear calcium ion waves along actin filaments control active hair-bundle motility

scientific article published on 01 September 2018

Nonlinear ionic pulses along microtubules.

scientific article published on 23 May 2011

Novel Allosteric Pathway of Eg5 Regulation Identified through Multivariate Statistical Analysis of Hydrogen-Exchange Mass Spectrometry (HX-MS) Ligand Screening Data

scientific article

Novel Colchicine Derivatives and their Anti-cancer Activity.

scientific article

Novel mutations involving βI-, βIIA-, or βIVB-tubulin isotypes with functional resemblance to βIII-tubulin in breast cancer.

scientific article published on 9 December 2016

On the classical vibrational coherence of carbonyl groups in the selectivity filter backbone of the KcsA ion channel

scientific article published on 20 May 2015

On the possible quantum role of serotonin in consciousness.

scientific article

Optomechanical proposal for monitoring microtubule mechanical vibrations.

scientific article published on 12 July 2017

Peloruside, laulimalide, and noscapine interactions with beta-tubulin.

scientific article published on 26 June 2012

Personalized anticancer therapy selection using molecular landscape topology and thermodynamics

scientific article published on 26 October 2016

Personalized therapy design for systemic lupus erythematosus based on the analysis of protein-protein interaction networks

scientific article published on 19 March 2020

Phase transitions and structure analysis in wild-type, A30P, E46K, and A53T mutants of α-synuclein

scientific article published on 22 December 2015

Possible existence of optical communication channels in the brain ⬇️

scientific article (publication date: 7 November 2016)

Possible role of electrodynamic interactions in long-distance biomolecular recognition ⬇️

scientific article published on 22 May 2015

Probing the Basis of α-Synuclein Aggregation by Comparing Simulations to Single-Molecule Experiments

scientific article published on 16 August 2019

Quantum Brain Dynamics in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e1106" altimg="si4.svg"><mml:mrow><mml:mn>2</mml:mn><mml:mo linebreak="goodbreak" linebreakstyle="after">+</mml:mo><mml:mn>1</mml:mn></mml:mrow

scientific article published in 2022

Quantum effects in the understanding of consciousness

scientific article published in June 2014

Ranking the Binding Energies of p53 Mutant Activators and Their ADMET Properties

scientific article published on 11 December 2014

Regulation of channel function due to physical energetic coupling with a lipid bilayer

scientific article published on 12 February 2014

Relationship between intelligence and spectral characteristics of brain biophoton emission: Correlation does not automatically imply causation.

scientific article published on 12 September 2016

Relaxed complex scheme suggests novel inhibitors for the lyase activity of DNA polymerase beta.

scientific article

Response to Alternating Electric Fields of Tubulin Dimers and Microtubule Ensembles in Electrolytic Solutions.

scientific article

Revealing and Attenuating the Electrostatic Properties of Tubulin and Its Polymers

scientific article published on 09 December 2020

Review and application of group theory to molecular systems biology

scientific article (publication date: 22 June 2011)

Screening Anti-Cancer Drugs against Tubulin using Catch-and-Release Electrospray Ionization Mass Spectrometry

scientific article published on 4 March 2016

Search for Magnetic Monopoles with the MoEDAL Forward Trapping Detector in 13 TeV Proton-Proton Collisions at the LHC. ⬇️

scientific article published on 10 February 2017

Self-Assembled Ligands Targeting TLR7: A Molecular Level Investigation.

scientific article published on 4 December 2017

Sensitivity of docetaxel-resistant MCF-7 breast cancer cells to microtubule-destabilizing agents including vinca alkaloids and colchicine-site binding agents.

scientific article

Signaling Complexity Measured by Shannon Entropy and Its Application in Personalized Medicine

scientific article published on 21 October 2019

Simulation of the effects of microtubules in the cortical rotation of amphibian embryos in normal and zero gravity.

scientific article published on 5 June 2012

Software for molecular docking: a review.

scientific article

Special Issue on Molecular Biology and Biophysics of Eukaryotic Cells

scientific article

Stochastic and Deterministic Models of Cellular p53 Regulation.

scientific article

Stream of consciousness: Quantum and biochemical assumptions regarding psychopathology.

scientific article published on 28 February 2017

Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design

scientific article published on 28 April 2020

Structure Based Modeling of Small Molecules Binding to the TLR7 by Atomistic Level Simulations.

scientific article published on 8 May 2015

Synthesis and Biological Evaluation of Novel Triple-Modified Colchicine Derivatives as Potent Tubulin-Targeting Anticancer Agents ⬇️

scientific article published on 19 November 2018

Synthesis and evaluation of 1,5-diaryl-substituted tetrazoles as novel selective cyclooxygenase-2 (COX-2) inhibitors

scientific article published on 21 January 2011

Synthesis and evaluation of fluorobenzoylated di- and tripeptides as inhibitors of cyclooxygenase-2 (COX-2)

scientific article published on 15 February 2012

Synthesis of small peptide compounds, molecular docking, and inhibitory activity evaluation against phosphatases PTP1B and SHP2

scientific article published on 05 December 2018

Synthesis, antiproliferative activity and molecular docking of Colchicine derivatives.

scientific article published on 12 January 2016

Synthesis, antiproliferative activity and molecular docking of thiocolchicine urethanes

scientific article published on 12 September 2018

Synthesis, antiproliferative activity, and molecular docking studies of 4-chlorothiocolchicine analogues

scientific article published on 20 September 2019

Synthesis, biological evaluation and molecular docking studies of new amides of 4-bromothiocolchicine as anticancer agents

scientific article published on 08 October 2019

Synthesis, biological evaluation and molecular docking studies of new amides of 4-chlorothiocolchicine as anticancer agents

scientific article published on 13 February 2020

Systematic identification and evolutionary analysis of catalytically versatile cytochrome p450 monooxygenase families enriched in model basidiomycete fungi

scientific article

Targeting DNA Repair in Tumor Cells via Inhibition of ERCC1-XPF

scientific article published on 22 August 2019

The Physical Mechanism for Retinal Discrete Dark Noise: Thermal Activation or Cellular Ultraweak Photon Emission?

scientific article

The Role of Structural Polymorphism in Driving the Mechanical Performance of the Alzheimer's Beta Amyloid Fibrils

scientific article published on 24 April 2019

The Unique Binding Mode of Laulimalide to Two Tubulin Protofilaments.

scientific article

The feasibility of coherent energy transfer in microtubules

scientific article

The need for a physical basis of cognitive process: comment on "Consciousness in the universe. A review of the 'Orch OR' theory" by Hameroff and Penrose.

scientific article published on 18 October 2013

The physiological concentration of ferrous iron (II) alters the inhibitory effect of hydrogen peroxide on CD45, LAR and PTP1B phosphatases

scientific article

The use of compressive sensing and peak detection in the reconstruction of microtubules length time series in the process of dynamic instability

scientific article published on 26 July 2015

Theorizing how the brain encodes consciousness based on negentropic entanglement

scientific article published on 01 March 2019

Thermodynamic and kinetic stability of the Josephin Domain closed arrangement: evidences from replica exchange molecular dynamics

scientific article published on 19 January 2017

Toward precision medicine of breast cancer

scientific article

Tubulin Polarizability in Aqueous Suspensions

scientific article published on 23 May 2019

Tubulin response to intense nanosecond-scale electric field in molecular dynamics simulation

scientific article published on 19 July 2019

Tubulin's response to external electric fields by molecular dynamics simulations

scientific article published in PLoS ONE

Using Spectral Representation to Classify Proteins' Conformational States

scientific article published on 18 July 2018

Using the Gibbs Function as a Measure of Human Brain Development Trends from Fetal Stage to Advanced Age

scientific article published on 07 February 2020

Validation of a network-based strategy for the optimization of combinatorial target selection in breast cancer therapy: siRNA knockdown of network targets in MDA-MB-231 cells as an in vitro model for inhibition of tumor development.

scientific article published on 04 August 2016

Vibrational dynamics of bio- and nano-filaments in viscous solution subjected to ultrasound: implications for microtubules.

scientific article published on 28 May 2011

Virtual screening using covalent docking to find activators for G245S mutant p53

scientific article published in PLoS ONE

α-Synuclein dimer structures found from computational simulations

scientific article published on 18 July 2015

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