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List of works by Mariusz Makowski

A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. I. Backbone potentials of coarse-grained polypeptide chains

scientific article published in March 2017

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

scientific article

Assessment of two theoretical methods to estimate potentiometric titration curves of peptides: comparison with experiment

scientific article published on March 2006

Calculations of pKa Values of Selected Pyridinium and Its N-Oxide Ions in Water and Acetonitrile

scientific article published on 08 January 2020

Can Nitriles Be Stronger Bases Than Proton Sponges in the Gas Phase? A Computational Analysis

scientific article published on 09 July 2015

Coarse-Grained Models of Proteins: Theory and Applications

Effects of Positive and Negative Ionization on Prototropy in Pyrimidine Bases: An Unusual Case of Isocytosine

scientific article published on 24 September 2018

Fluorescence quenching of fluoroquinolone antibiotics by 4-hydroxy-TEMPO in aqueous solution

scientific article published on 28 June 2014

Further evidence for the absence of polyproline II stretch in the XAO peptide.

scientific article

Geometric consequences of electron delocalization for adenine tautomers in aqueous solution.

scientific article

Influence of Ionic Strength on Hydrophobic Interactions in Water: Dependence on Solute Size and Shape

scientific article published on 04 November 2020

Introduction of Phosphorylated Residues into the UNRES Coarse-Grained Model: Toward Modeling of Signaling Processes

scientific article published on 26 June 2019

Metallopharmaceuticals in Therapy - a New Horizon for Scientific Research

scientific article published on 5 December 2017

Modern Approach to Medical Diagnostics - the Use of Separation Techniques in Microorganisms Detection.

scientific article

New benzothiazole based copper(II) hydrazone Schiff base complexes for selective and environmentally friendly oxidation of benzylic alcohols: The importance of the bimetallic species tuned by the choice of the counterion

scientific article published in March 2020

Optimization of the UNRES Force Field by Hierarchical Design of the Potential-Energy Landscape. 1. Tests of the Approach Using Simple Lattice Protein Models

Potential of mean force of association of large hydrophobic particles: toward the nanoscale limit.

scientific article

Potential of mean force of hydrophobic association: dependence on solute size.

scientific article published on 22 August 2007

Quantum-chemical studies on the favored and rare tautomers of neutral and redox adenine.

scientific article published on 5 February 2013

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

scientific article published on 24 February 2020

Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. 3. Calculation and Parameterization of the Potentials of Mean Force of Pairs of Identical Hydrophobic Side Chains

article

Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. 1. Approximate expression for the free energy of hydrophobic association based on a Gaussian-overlap model

scientific article published on 27 February 2007

Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. 2. Tests with simple spherical systems

scientific article published on 27 February 2007

Simple physics-based analytical formulas for the potentials of mean force for the interaction of amino acid side chains in water. IV. Pairs of different hydrophobic side chains

scientific article published on 14 August 2008

The Azatriquinenamine Trimer-A Novel Proton Chelate Azatriquinanes, Part 3.

Theoretical Studies of Interactions between O-Phosphorylated and Standard Amino-Acid Side-Chain Models in Water

scientific article

Theoretical calculations of homoconjugation equilibrium constants in systems modeling acid-base interactions in side chains of biomolecules using the potential of mean force.

scientific article published in February 2005

Toward temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. II. Molecular dynamics study of pairs of different types of interactions in water at various temperatures

scientific article

Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: molecular dynamics study of a pair of methane molecules in water at various temperatures.

scientific article

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