M. Mezei

发表

On the Selection of the Particle to Be Perturbed in the Monte Carlo Method

M. Mezei, 1981 .

Adaptive umbrella sampling: Self-consistent determination of the non-Boltzmann bias

M. Mezei, 1987 .

The ABCs of molecular dynamics simulations on B-DNA, circa 2012

Mihaly Mezei, Thomas E Cheatham, M. Mezei, 2012, Journal of Biosciences.

Molecular docking: a powerful approach for structure-based drug discovery.

M. Mezei, Hong-Xing Zhang, Xuanyu Meng, 2011, Current computer-aided drug design.

Morphology of Voids in Molecular Systems. A Voronoi−Delaunay Analysis of a Simulated DMPC Membrane

Mihaly Mezei, Nikolai N. Medvedev, Pál Jedlovszky, 2004 .

Prediction of protein loop structures using a local move Monte Carlo approach and a grid-based force field.

M. Mezei, R. Osman, Meng Cui, 2008, Protein engineering, design & selection : PEDS.

The finite difference thermodynamic integration, tested on calculating the hydration free energy difference between acetone and dimethylamine in water

M. Mezei, 1987 .

Grand Canonical Monte Carlo Simulation of Water Positions in Crystal Hydrates

Mihaly Mezei, Haluk Resat, M. Mezei, 1994 .

Effect of Cholesterol on the Properties of Phospholipid Membranes. 1. Structural Features

M. Mezei, P. Jedlovszky, 2003 .

Effect of cholesterol on the properties of phospholipid membranes. 4. Interatomic voids.

Mihaly Mezei, M. G. Alinchenko, M. Mezei, 2005, The journal of physical chemistry. B.

Efficient Monte Carlo sampling for long molecular chains using local moves, tested on a solvated lipid bilayer

Mihaly Mezei, M. Mezei, 2003 .

Results from an Early Polarization Model Based on Maxwell's Invariant Multipole Form.

Mihaly Mezei, M. Mezei, 2007, Journal of chemical theory and computation.

Severe anemia in the Nan mutant mouse caused by sequence-selective disruption of erythroid Krüppel-like factor

M. Mezei, M. Siatecka, J. Bieker, 2010, Proceedings of the National Academy of Sciences.

Free Energy Simulations a

M Mezei, M. Mezei, D. Beveridge, 1986, Annals of the New York Academy of Sciences.

The Potentials of Mean Force of Sodium Chloride and Sodium Dimethylphosphate in Water : An Application of Adaptive Umbrella Sampling

Mihaly Mezei, M. Mezei, Richard A. Friedman, 1995 .

Studies on free energy calculations. II. A theoretical approach to molecular solvation

M. Mezei, H. Resat, 1994 .

Unfolded state of polyalanine is a segmented polyproline II helix

Mihaly Mezei, Alex Kentsis, Roman Osman, 2004, Proteins.

Effect of Cholesterol on the Properties of Phospholipid Membranes. 3. Local Lateral Structure

M. Mezei, N. N. Medvedev, P. Jedlovszky, 2004 .

Studies of base pair sequence effects on DNA solvation based on all-atom molecular dynamics simulations

M. Mezei, D. Beveridge, S. Dixit, 2012, Journal of Biosciences.

Computer simulation study of liquid CH2F2 with a new effective pair potential model

M. Mezei, P. Jedlovszky, 1999 .

Virtual screening of a natural compound library at orthosteric and allosteric binding sites of the neurotensin receptor

M. Mezei, R. Sarma, M. Sadoqi, 2019, Journal of biomolecular structure & dynamics.

Assessing the binding of cholinesterase inhibitors by docking and molecular dynamics studies.

M. Mezei, S. G. Møller, M. Sadoqi, 2017, Journal of molecular graphics & modelling.

Computer Aided Identification of Small Molecules Disrupting uPAR/α5β1- Integrin Interaction: A New Paradigm for Metastasis Prevention

Mihaly Mezei, Ming-Ming Zhou, M. Mezei, 2009, PloS one.

Selective Inhibition of SIN 3 Corepressor with Avermectins as a Novel Therapeutic Strategy in Triple-Negative Breast Cancer

M. Mezei, Ming-Ming Zhou, A. Zelent, 2015 .

Selective Inhibition of SIN3 Corepressor with Avermectins as a Novel Therapeutic Strategy in Triple-Negative Breast Cancer

M. Mezei, A. Ashworth, Ming-Ming Zhou, 2015, Molecular Cancer Therapeutics.

Identifying a Small Molecule Blocking Antigen Presentation in Autoimmune Thyroiditis*

M. Mezei, R. Osman, E. Jacobson, 2015, The Journal of Biological Chemistry.

Comment on “Molecular dynamics simulations in the grand canonical ensemble: Formulation of a bias potential for umbrella sampling” [J. Chem. Phys. 110, 8295 (1999)]

M. Mezei, 2000 .

Predicting Protein Interactions by Brownian Dynamics Simulations

M. Mezei, Hong-Xing Zhang, Xuanyu Meng, 2012, Journal of biomedicine & biotechnology.

Inhibitor of CBP Histone Acetyltransferase Downregulates p53 Activation and Facilitates Methylation at Lysine 27 on Histone H3

M. Mezei, Ming-Ming Zhou, S. Mujtaba, 2018, Molecules.

Transmembrane domains of attraction on the TSH receptor.

M. Mezei, R. Latif, T. Davies, 2015, Endocrinology.

A cooperative calculation and analysis of electric fields, induced dipole vectors and lattice energies for rotationally ordered ices IX, II and disordered Ih

M. Mezei, E. S. Campbell, 1980 .

Efficient multipole expansion: Choice of order and density partitioning techniques

M. Mezei, E. S. Campbell, 1977 .

Computational approaches for modeling GPCR dimerization.

M. Mezei, Xuanyu Meng, Meng Cui, 2014, Current pharmaceutical biotechnology.

Pentagon-pentagon correlations in water

M. Mezei, R. J. Speedy, 1985 .

Comparison of polarizable and nonpolarizable models of hydrogen fluoride in liquid and supercritical states: A Monte Carlo simulation study

M. Mezei, P. Jedlovszky, R. Vallauri, 2001 .

TSH Receptor Signaling Abrogation by a Novel Small Molecule

M. Mezei, R. Latif, T. Davies, 2016, Front. Endocrinol..

New small molecule agonists to the thyrotropin receptor.

M. Mezei, M. Ohlmeyer, R. Latif, 2015, Thyroid : official journal of the American Thyroid Association.

Lucanthone and Its Derivative Hycanthone Inhibit Apurinic Endonuclease-1 (APE1) by Direct Protein Binding

Samuel H. Wilson, David M. Wilson, M. Mezei, 2011, PloS one.

Ab initio calculation of the free energy of liquid water

M. Mezei, S. Swaminathan, D. Beveridge, 1978 .

Conformational stability of dimethyl phosphate anion in water: liquid-state free energy simulations

M. Mezei, D. Beveridge, B. Jayaram, 1988 .

Brief Report - Monoclonal Antibodies Illustrate the Difficulties in Measuring Blocking TSH Receptor Antibodies

M. Mezei, R. Latif, T. Davies, 2022, Frontiers in endocrinology.

Estimation of the difference between molecular dynamics and monte carlo averages due to the truncation of the potential

M. Mezei, 1980 .

Efficient construction of directional derivatives of a function of a vector magnitude and maxwell's invariant multipole form

M. Mezei, E. S. Campbell, 1976 .

A computational procedure for obtaining the poles of a spherical harmonic of order N; Application to the multipole expansion of electrostatic interaction

M. Mezei, E. S. Campbell, 1976 .

Monte Carlo loop refinement and virtual screening of the thyroid-stimulating hormone receptor transmembrane domain

Mihaly Mezei, Rauf Latif, M. Mezei, 2015, Journal of biomolecular structure & dynamics.

Conformational Space Comparison of GnRH and lGnRH-III using Molecular Dynamics, Cluster Analysis and Monte Carlo Thermodynamic Integration

M Mezei, C. R. Watts, M. Mezei, 2001, Journal of biomolecular structure & dynamics.

Free energy simulations: Applications to the study of liquid water, hydrophobic interactions and solvent effects on conformational stability

M. Mezei, D. Beveridge, G. Ravishanker, 1985, Journal of Biosciences.

Grand canonical ensemble Monte Carlo simulation of the dCpG/proflavine crystal hydrate.

M Mezei, M. Mezei, H. Resat, 1996, Biophysical journal.

Monte Carlo Studies of the Aqueous Hydration of cis- and trans- N- Methyl-Acetamide: Sensitivity of Results to Convergence and to Choice of Intermolecular Potential Functions

M. Mezei, D. Beveridge, G. Ravishanker, 1986 .

Monte Carlo determination of the free energy and internal energy of hydration for the Ala dipeptide at 25.degree.C

Mihaly Mezei, David L. Beveridge, M. Mezei, 1985 .

A cavity-biased (T, V, μ) Monte Carlo method for the computer simulation of fluids

Mihaly Mezei, M. Mezei, 1980 .

A Modifying Autoantigen in Graves’ Disease

M. Mezei, R. Latif, T. Davies, 2019, Endocrinology.

Aqueous hydration of benzene

Mihaly Mezei, David L. Beveridge, M. Mezei, 1984 .

Computational analysis of the effects of site‐specific phosphate alkylation in the DNA oligomer {d‐[GGAATTCC]}2

M. Mezei, M. Broido, 1990, Biopolymers.

An NR2F1-specific agonist suppresses metastasis by inducing cancer cell dormancy

M. Mezei, R. Sanchez, J. Aguirre-Ghiso, 2021, The Journal of experimental medicine.

A specific agonist of the orphan nuclear receptor NR2F1 suppresses metastasis through the induction of cancer cell dormancy

M. Mezei, R. Sanchez, J. Aguirre-Ghiso, 2021, bioRxiv.

The Human TSHβ Subunit Proteins and their Binding Sites on the TSH Receptor Using Molecular Dynamics Simulation.

M. Mezei, M. Zaidi, R. Latif, 2020, Endocrinology.

Chameleon sequences in the PDB.

M Mezei, M. Mezei, 1998, Protein engineering.

The Effect of the Combined Volume on the Efficiency of Gibbs Ensemble Simulations

M. Mezei, 1993 .

Theoretical Calculation of the Liquid—Vapor Coexistence Curve of Water, Chloroform and Methanol with the Cavity-Biased Monte Carlo Method in the Gibbs Ensemble

M. Mezei, 1992 .

A comprehensive liquid simulation study of neat formic acid

M. Mezei, P. Minary, P. Jedlovszky, 2000 .

The Error of a Function Approximation Based on Random Selected Points

M. Mezei, 1973 .

Identification of a novel binding site between HIV type 1 Nef C-terminal flexible loop and AP2 required for Nef-mediated CD4 downregulation.

Mihaly Mezei, M. Mezei, M. Ohlmeyer, 2013, AIDS research and human retroviruses.

[Ala12]MCD peptide: a lead peptide to inhibitors of immunoglobulin E binding to mast cell receptors.

M. Mezei, B. Condie, A. Buku, 2005, The journal of peptide research : official journal of the American Peptide Society.

Characterization of the Binding Site of Aspartame in the Human Sweet Taste Receptor.

M. Mezei, R. Osman, R. Margolskee, 2015, Chemical senses.

Rescore protein–protein docked ensembles with an interface contact statistics

Mihaly Mezei, M. Mezei, 2017, Proteins.

A molecular dynamics simulation of a water droplet by the implicit-Euler/Langevin scheme

M. Mezei, T. Schlick, Samuel Figueroa, 1991 .

The Biological Significance of Targeting Acetylation-Mediated Gene Regulation for Designing New Mechanistic Tools and Potential Therapeutics

M. Mezei, S. Mujtaba, Z. Ali, 2021, Biomolecules.

Modeling dimerizations of transmembrane proteins using Brownian dynamics simulations

Mihaly Mezei, Meng Cui, Roman Osman, 2008, J. Comput. Aided Mol. Des..

A Gq Biased Small Molecule Active at the TSH Receptor

M. Mezei, R. Latif, T. Davies, 2020, Frontiers in Endocrinology.

Computational model of the full-length TSH receptor

M. Mezei, R. Latif, T. Davies, 2022, bioRxiv.

Calculation of solvation free-energy differences for large solute change from computer simulations with quadrature-based nearly linear thermodynamic integration

M. Mezei, 1993 .

The structure of the zwitterionic headgroups in a DMPC bilayer as seen from Monte Carlo simulation: Comparisons with ionic solutions

M. Mezei, P. Jedlovszky, L. Pártay, 2007 .

Structure-Guided Discovery of Selective Antagonists for the Chromodomain of Polycomb Repressive Protein CBX7.

M. Mezei, Ming-Ming Zhou, K. Yap, 2016, ACS medicinal chemistry letters.

Revisiting Chameleon Sequences in the Protein Data Bank

Mihaly Mezei, M. Mezei, 2018, Algorithms.

A novel method reveals that solvent water favors polyproline II over β-strand conformation in peptides and unfolded proteins : Conditional Hydrophobic Accessible Surface Area ( CHASA ) *

Mihaly Mezei, Rajgopal Srinivasan, Nicholas C Fitzkee, 2004 .

Monte Carlo determination of the internal energies of hydration for the Ala dipeptide in the C7, C5, αR, and PII conformations

M. Mezei, D. Beveridge, P. K. Mehrotra, 1984 .

A molecular dynamics investigation of lipid bilayer perturbation by PIP2.

M. Mezei, R. Osman, Dmitry Lupyan, 2010, Biophysical journal.

Retro-inverso D-peptides as a novel targeted immunotherapy for Type 1 diabetes.

M. Mezei, R. Osman, Hanane Arib, 2020, Journal of autoimmunity.

Polyproline II helix is the preferred conformation for unfolded polyalanine in water

Mihaly Mezei, Rajgopal Srinivasan, Patrick J Fleming, 2004, Proteins.

The role of protein “Stability patches” in molecular recognition: A case study of the human growth hormone‐receptor complex

Mihaly Mezei, Stanislav Engel, Roman Osman, 2016, J. Comput. Chem..

Structure-guided optimization of small molecules inhibiting human immunodeficiency virus 1 Tat association with the human coactivator p300/CREB binding protein-associated factor.

Mihaly Mezei, Lei Zeng, Ming-Ming Zhou, 2007, Journal of medicinal chemistry.

Free-Energy Profile of Small Solute Molecules at the Free Surfaces of Water and Ice, as Determined by Cavity Insertion Widom Calculations

M. Mezei, P. Jedlovszky, S. Picaud, 2007 .

Calculation of the free energy of solvation of the Li+ and Na+ ions in water and chloroform

Mihaly Mezei, M. Mezei, P. Maye, 1996 .

Quantum Signature of Anisotropic Singularities in Hydrogen Bond Breaking of Water Dimer

M. Mezei, M. Ali, 2020, SSRN Electronic Journal.

Monte Carlo studies of the structure of dilute aqueous sclutions of Li+, Na+, K+, F−, and Cl−

M. Mezei, D. Beveridge, 1981 .

Simulated Annealing of Chemical Potential: A General Procedure for Locating Bound Waters. Application to the Study of the Differential Hydration Propensities of the Major and Minor Grooves of DNA

Mihaly Mezei, Frank Guarnieri, M. Mezei, 1996 .

Monte Carlo study of the aqueous hydration of dimethylphosphate conformations

M. Mezei, D. Beveridge, B. Jayaram, 1987 .

Simulaid: A simulation facilitator and analysis program

Mihaly Mezei, M. Mezei, 2010, J. Comput. Chem..

A new method for mapping macromolecular topography.

Mihaly Mezei, M. Mezei, 2003, Journal of molecular graphics & modelling.

Optimal position of solute for simulations

Mihaly Mezei, M. Mezei, 1997, J. Comput. Chem..

Monte Carlo computer simulation study of the hydrophobic effect. Potential of mean force for [(CH4)2]aq at 25 and 50 °C

Mihaly Mezei, David L. Beveridge, M. Mezei, 1982 .

Interfacial water as a "hydration fingerprint" in the noncognate complex of BamHI.

M. Mezei, R. Osman, I. Simon, 2005, Biophysical journal.

An algorithm for the calculation of the net induction energy and induced multipole tensors in a set of charge distributions with non-linear contributions of all potentials of external fields and both permanent and induced multipoles

M. Mezei, E. S. Campbell, 1986 .

Calculation of the Free Energy and Cooperativity of Protein Folding

Mihaly Mezei, Alex Kentsis, Roman Osman, 2007, PloS one.

Long-range contribution to inverse-distance power and Morse energy and pressure terms of a molecular liquid, tested on benzene

M. Mezei, K. Bencsáth, 1994 .

Effective Mast Cell Degranulating Peptide Inhibitors of the IgE/FcɛRI Receptor Interaction

M. Mezei, Dmitry Lupyan, A. Buku, 2008, Chemical biology & drug design.

Further quasicomponent distribution function analysis of liquid water. Temperature dependence of the results

M. Mezei, D. Beveridge, 1982 .

Identification of a small-molecule ligand that activates the neuropeptide receptor GPR171 and increases food intake

M. Mezei, L. Devi, M. Filizola, 2016, Science Signaling.

Grand-canonical ensemble Monte Carlo study of dense liquid Lennard-Jones, soft spheres and water

Mihaly Mezei, M. Mezei, 1987 .

The BigLEN-GPR171 Peptide Receptor System Within the Basolateral Amygdala Regulates Anxiety-Like Behavior and Contextual Fear Conditioning

Kirstie A. Cummings, M. Mezei, R. Clem, 2017, Neuropsychopharmacology.

Comparison of the percolation model with computer simulation results on different water models

M. Mezei, 1984 .

Substrate Binding and Inhibition of the Anion Exchanger 1 Transporter

M. Mezei, R. Osman, A. Schlessinger, 2022, bioRxiv.

Determination of molecular properties by the method of moments. I

M. Mezei, T. Szondy, M. Hegyi, 1969 .

Convergence characteristics of Monte Carlo–Metropolis computer simulations on liquid water

Mihaly Mezei, David L. Beveridge, M. Mezei, 1979 .

Implications of an improved model of the TSH receptor transmembrane domain (TSHR-TMD -TRIO).

M. Mezei, R. Latif, T. Davies, 2021, Endocrinology.

Human uroporphyrinogen III synthase: NMR‐based mapping of the active site

M. Mezei, R. Desnick, Ming-Ming Zhou, 2008, Proteins.

Aqueous hydration of nucleic acid constituents: Monte Carlo computer simulation studies.

M. Mezei, D. Beveridge, G. Ravishanker, 1984, Journal of biomolecular structure & dynamics.

Convergence acceleration in Monte Carlo computer simulation on water and aqueous solutions

Mihaly Mezei, David L. Beveridge, M. Mezei, 1983 .

Polynomial path for the calculation of liquid state free energies from computer simulations tested on liquid water

M. Mezei, 1992 .

Theoretical studies of hydrogen bonding in liquid water and dilute aqueous solutions

Mihaly Mezei, David L. Beveridge, M. Mezei, 1981 .

The possibility of obtaining an effective pairwise additive intermolecular potential via an ab initio route by fitting to a cooperative model of condensed-phase configurations

M. Mezei, 1991 .

Use of a non‐pair‐additive intermolecular potential function to fit quantum‐mechanical data on water molecule interactions

M. Mezei, E. S. Campbell, 1977 .

Studies on free energy calculations. I. Thermodynamic integration using a polynomial path

Mihaly Mezei, Haluk Resat, M. Mezei, 1993 .

Free-Energy Computer Simulations for the Study of Proton Transfer in Solutions

M. Mezei, 1992 .

A molecular level explanation of the density maximum of liquid water from computer simulations with a polarizable potential model

M. Mezei, P. Jedlovszky, R. Vallauri, 2000 .

The sensitivity of conformational free energies of the alanine dipeptide to atomic site charges.

M Mezei, M. Mezei, H. Resat, 1997, Biopolymers.

Excess free energy of different water models computed by Monte Carlo methods

M. Mezei, 1982 .

Effect of Cholesterol on the Properties of Phospholipid Membranes. 2. Free Energy Profile of Small Molecules

M. Mezei, P. Jedlovszky, 2003 .

Statistical Thermodynamics via Computer Simulation to Characterize Phospholipid Interactions in Membranes

M. Mezei, P. Jedlovszky, 2007 .

Statistical thermodynamics through computer simulation to characterize phospholipid interactions in membranes.

M. Mezei, P. Jedlovszky, 2007, Methods in molecular biology.

Dockres: a computer program that analyzes the output of virtual screening of small molecules

Mihaly Mezei, Ming-Ming Zhou, M. Mezei, 2010, Source Code for Biology and Medicine.

Comparison of a quantum random number generator with pseudorandom number generators for their use in molecular Monte Carlo simulations

Mihaly Mezei, Dario Ghersi, Abhishek Parakh, 2017, J. Comput. Chem..

Foldability and chameleon propensity of fold‐switching protein sequences

M. Mezei, 2020, Proteins.

On predicting foldability of a protein from its sequence

M. Mezei, 2019, Proteins.

Exploiting Sparse Statistics for a Sequence-Based Prediction of the Effect of Mutations

Mihaly Mezei, M. Mezei, 2019, Algorithms.

Homology modeling and site-directed mutagenesis to identify selective inhibitors of endothelin-converting enzyme-2.

Mihaly Mezei, Ming-Ming Zhou, Lakshmi A Devi, 2008, Journal of medicinal chemistry.

Protein Binding Pocket Optimization for Virtual High-Throughput Screening (vHTS) Drug Discovery

Dimitris Gazgalis, Mehreen Zaka, Bilal Haider Abbasi, 2020, ACS omega.

TRAJELIX: A Computational Tool for the Geometric Characterization of Protein Helices During Molecular Dynamics Simulations

Mihaly Mezei, Marta Filizola, M. Mezei, 2006, J. Comput. Aided Mol. Des..

Generic solvent sites in a crystal

M. Mezei, D. Beveridge, 1984 .

Torque algorithms: The permanent multipole and induced dipole vector contributions in a set of charge distributions

M. Mezei, E. S. Campbell, 1982 .

Finding of the smallest enclosing cube to improve molecular modeling

M. Mezei, 2000 .

Grand canonical ensemble Monte Carlo simulation of a lipid bilayer using extension biased rotations

M. Mezei, P. Jedlovszky, 1999 .

Orientational Order of the Water Molecules Across a Fully Hydrated DMPC Bilayer: A Monte Carlo Simulation Study

M. Mezei, Pál Jedlovszky† and, 2001 .

Results from an Early Polarization Model Based on Maxwell's Invariant Multipole Form.

M. Mezei, 2007, Journal of chemical theory and computation.

LIQUID STATE COMPUTER SIMULATIONS OF BIOMOLECULAR SOLVATION PROBLEMS *

M. Mezei, D. Beveridge, F. Marchese, 1981 .

Virial-bias Monte Carlo methods Efficient sampling in the (T, P,N) ensemble

M. Mezei, 1983 .

Calculation of the solvent contribution to the potential of mean force between water molecules in fixed relative orientation in liquid water

M. Mezei, A. Ben-Naim, 1990 .

EVALUATION OF THE ADAPTIVE UMBRELLA SAMPLING METHOD

Mihaly Mezei, M. Mezei, 1989 .

On the Potential of Monte Carlo Methods for Simulating Macromolecular Assemblies

Mihaly Mezei, M. Mezei, 2002 .

Substrate binding and inhibition of the anion exchanger 1 transporter

M. Mezei, A. Schlessinger, Sezen Vatansever, 2023, Nature Structural & Molecular Biology.

Automatic Control of Solvent Density in Grand Canonical Ensemble Monte Carlo Simulations.

Mihaly Mezei, Joshua A. Speidel, Joshua A Speidel, 2006, Journal of chemical theory and computation.

Monte Carlo Computer Simulation of the Aqueous Hydration of the Glycine Zwitterion at 25°C

M. Mezei, D. Beveridge, P. K. Mehrotra, 1984 .

Monte Carlo Computer Simulation Studies of the Equilibrium Properties and Structure of Liquid Water

M. Mezei, S. Swaminathan, D. Beveridge, 1983 .

Automatic Determination of Stepsize Parameters in Monte Carlo Simulation Tested on a Bromodomain-Binding Octapeptide

Mihaly Mezei, Joshua A. Speidel, Jason R. Banfelder, 2009, Algorithms.

Direct Calculation of the Excess Free Energy of the Dense Lennard-Jones Fluid

M. Mezei, 1989 .

Computer algorithms and programs for permanent multipole and induced dipole interaction energies and dipole vectors in crystals

M. Mezei, E. S. Campbell, 1978 .

The anisotropic virial-biased sampling for Monte Carlo simulations in the isothermal—isobaric ensemble

M. Mezei, P. Jedlovszky, 1999 .

In Silico Modeling of Novel Drug Ligands for Treatment of Concussion Associated Tauopathy

M. Mezei, G. Elder, R. Sanchez, 2016, Journal of cellular biochemistry.

Conformational stability and flexibility of the ala dipeptide in free space and water: Monte Carlo computer simulation studies

M. Mezei, D. Beveridge, G. Ravishanker, 1986 .

Structural chemistry of biomolecular hydration via computer simulation: the proximity criterion.

M Mezei, M. Mezei, D. Beveridge, 1986, Methods in enzymology.

Observation of quantum signature in rivastigmine chemical bond break-up and quantum energetics, spectral studies of anti-Alzheimer inhibitors

M. Mezei, M. R. Ali, 2019, Journal of biomolecular structure & dynamics.

Monte Carlo studies on water in the dCpG/proflavin crystal hydrate.

M. Mezei, H. Berman, J. Goodfellow, 1983, Journal of biomolecular structure & dynamics.

Use of the Codon Table to Quantify the Evolutionary Role of Random Mutations

Mihaly Mezei, M. Mezei, 2021, Algorithms.

Computer simulation studies of the fully solvated wild-type and mutated GnRH in extended and beta-turn conformations.

M Mezei, F Guarnieri, M. Mezei, 1998, Journal of biomolecular structure & dynamics.

Structure-Guided Discovery of Selective Antagonists for the Chromodomain of Polycomb Repressive Protein CBX7.

M. Mezei, Ming-Ming Zhou, K. Yap, 2016, ACS medicinal chemistry letters.

A molecular dynamics investigation of lipid bilayer perturbation by PIP2.

M. Mezei, R. Osman, Dmitry Lupyan, 2010, Biophysical journal.

Using Force-Field Grids for Sampling Translation/Rotation of Partially Rigid Macromolecules

Mihaly Mezei, M. Mezei, 2017, Algorithms.

Statistical Properties of Protein-Protein Interfaces

Mihaly Mezei, M. Mezei, 2015, Algorithms.

A novel method reveals that solvent water favors polyproline II over β‐strand conformation in peptides and unfolded proteins: conditional hydrophobic accessible surface area (CHASA)

G. Rose, M. Mezei, Nicholas C. Fitzkee, 2005, Protein science : a publication of the Protein Society.

MONTE CARLO DETERMINATION OF THE FREE ENERGY AND INTERNAL ENERGY OF HYDRATION FOR THE ALA DIPEPTIDE AT 25°C

M. Mezei, D. Beveridge, P. K. Mehrotra, 1985 .

Calculation of the Free Energy Profile of H2O, O2, CO, CO2, NO, and CHCl3 in a Lipid Bilayer with a Cavity Insertion Variant of the Widom Method

M. Mezei, Pál Jedlovszky† and, 2000 .