Mezei, Mihaly : rechercher sur Z-Library

Année:

1976

Langue:

english

Fichier:

PDF, 390 KB

english, 1976

On the selection of the particle to be perturbed in the Monte Carlo method

Journal:

Année:

1981

Langue:

english

Fichier:

PDF, 514 KB

english, 1981

A new method for mapping macromolecular topography

Journal of Molecular Graphics and Modelling

Journal:

Année:

2003

Langue:

english

Fichier:

PDF, 487 KB

english, 2003

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

Mihaly Mezei, Marta Filizola

Journal:

Journal of Computer-Aided Molecular Design

Année:

2006

Langue:

english

Fichier:

PDF, 837 KB

english, 2006

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

Mihaly Mezei, Edwin S Campbell

Journal:

Mihaly Mezei, Edwin S Campbell

Année:

1976

Langue:

english

Fichier:

PDF, 329 KB

english, 1976

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

Journal:

Alinchenko, Marina G., Anikeenko, Alexey V., Medvedev, Nikolai N., Voloshin, Vladimir P., Mezei, Mihaly, Jedlovszky, Pál

Année:

1978

Langue:

english

Fichier:

PDF, 347 KB

english, 1978

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

Journal:

Journal of Physical Chemistry B

Année:

2004

Langue:

english

Fichier:

PDF, 759 KB

english, 2004

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

The Journal of Chemical Physics

Journal:

Année:

1981

Langue:

english

Fichier:

PDF, 1.13 MB

english, 1981

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

Journal:

Molecular Physics

Année:

1982

Langue:

english

Fichier:

PDF, 532 KB

english, 1982

superconducting ceramics

Mihály, L., Rosta, L., Coddens, G., Mezei, F., Hutiray, Gy., Kriza, G., Keszei, B.

Journal:

Physical Review B

Année:

1987

Langue:

english

Fichier:

PDF, 140 KB

english, 1987

Molecular Dynamics and Docking Studies on Acetylcholinesterase (AChE) Inhibitors

Ali, Rejwan, Sadoqi, Mostafa, Moller, Simon, Boutajangout, Allal, Mezei, Mihaly

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 40 KB

english, 2018

Optimal position of solute for simulations

Journal:

Haluk Resat, Peter V. Maye, Mihaly Mezei

Année:

1997

Langue:

english

Fichier:

PDF, 117 KB

english, 1997

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

Journal:

Biopolymers

Année:

1997

Langue:

english

Fichier:

PDF, 742 KB

english, 1997

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

Michelle S. Broido, Mihaly Mezei

Journal:

Biopolymers

Année:

1990

Langue:

english

Fichier:

PDF, 911 KB

english, 1990

Simulaid: A simulation facilitator and analysis program

Journal:

Mihaly Mezei, David L. Beveridge

Année:

2010

Langue:

english

Fichier:

PDF, 412 KB

english, 2010

Generic solvent sites in a crystal

Journal:

Année:

1984

Langue:

english

Fichier:

PDF, 440 KB

english, 1984

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

Journal:

Année:

1992

Langue:

english

Fichier:

PDF, 564 KB

english, 1992

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

Mihaly Mezei, Gábor Jancsó

Journal:

Chemical Physics Letters

Année:

1980

Langue:

english

Fichier:

PDF, 208 KB

english, 1980

Free-energy simulation studies on the hydration of tetramethylurea and tetramethylthiourea

Journal:

Chemical Physics Letters

Année:

1995

Langue:

english

Fichier:

PDF, 268 KB

english, 1995

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

Journal:

Pál Jedlovszky, Lívia Pártay, Mihaly Mezei

Année:

1987

Langue:

english

Fichier:

PDF, 708 KB

english, 1987

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

Journal:

Journal of Molecular Liquids

Année:

2007

Langue:

english

Fichier:

PDF, 519 KB

english, 2007

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

Pál Jedlovszky, Mihaly Mezei, Renzo Vallauri

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 155 KB

english, 2000

Pspace: a program that assesses protein space

Mihaly Mezei, Ming-Ming Zhou

Journal:

Source Code for Biology and Medicine

Année:

2007

Langue:

english

Fichier:

PDF, 262 KB

english, 2007

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

Mihaly Mezei, Ming-Ming Zhou

Journal:

Source Code for Biology and Medicine

Année:

2010

Langue:

english

Fichier:

PDF, 813 KB

english, 2010

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

Mihaly Mezei, Patrick J. Fleming, Rajgopal Srinivasan, George D. Rose

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 289 KB

english, 2004

Unfolded state of polyalanine is a segmented polyproline II helix

Alex Kentsis, Mihaly Mezei, Tatyana Gindin, Roman Osman

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 517 KB

english, 2004

Origin of the sequence-dependent polyproline II structure in unfolded peptides

Alex Kentsis, Mihaly Mezei, Roman Osman

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 265 KB

english, 2005

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

Luis Cunha, Miklos Kuti, David F. Bishop, Mihaly Mezei, Lei Zeng, Ming-Ming Zhou, Robert J. Desnick

Journal:

Kenneth D. Eichenbaum, Yoel Rodríguez, Mihaly Mezei, Roman Osman

Année:

2008

Langue:

english

Fichier:

PDF, 1.40 MB

english, 2008

The energetics of the acetylation switch in p53-mediated transcriptional activation

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2010

Iso-energy cutoff for the calculation of interionic potential of mean force in water

International Journal of Quantum Chemistry

Journal:

Année:

1994

Langue:

english

Fichier:

PDF, 255 KB

english, 1994

Efficient multipole expansion: Choice of order and density partitioning techniques

Mihaly Mezei, Edwin S. Campbell

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

1977

Langue:

english

Fichier:

PDF, 502 KB

english, 1977

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

Mihaly Mezei, Katalin Bencsáth

Journal:

Journal of Mathematical Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 707 KB

english, 1994

Modeling dimerizations of transmembrane proteins using Brownian dynamics simulations

Meng Cui, Mihaly Mezei, Roman Osman

Journal:

Journal of Computer-Aided Molecular Design

Année:

2008

Langue:

english

Fichier:

PDF, 587 KB

english, 2008

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

Edwin S Campbell, Mihaly Mezei

Journal:

Chemical Biology & Drug Design

Année:

1982

Langue:

english

Fichier:

PDF, 588 KB

english, 1982

Synthesis and optical characterization of novel azacrown ethers containing an acridinone or an N-methylacridinone unit as potential fluorescent chemosensors

Ildikó Móczár, Péter Huszthy, András Mezei, Mihály Kádár, József Nyitrai, Klára Tóth

Journal:

Tetrahedron

Année:

2010

Langue:

english

Fichier:

PDF, 1013 KB

english, 2010

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

Angeliki Buku, Inna Keselman, Dmitry Lupyan, Mihaly Mezei, Joseph A. Price

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 195 KB

english, 2008

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)

Patrick J. Fleming, Nicholas C. Fitzkee, Mihaly Mezei, Rajgopal Srinivasan, George D. Rose

Journal:

Protein Science

Année:

2005

Langue:

english

Fichier:

PDF, 147 KB

english, 2005

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

Beveridge, David L, Cheatham, Thomas E, Mezei, Mihaly

Journal:

Journal of Biosciences

Année:

2012

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2012

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

Dixit, Surjit B, Mezei, Mihaly, Beveridge, David L

Journal:

Journal of Biosciences

Année:

2012

Langue:

english

Fichier:

PDF, 1.56 MB

english, 2012

Ab initio study of aspartic and glutamic acid: Supplementary evidence for structural requirements at position 9 for glucagon activity

Anne-Marie Sapse, Mihaly Mezei, Duli C. Jain, Cecille Unson

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1994

Langue:

english

Fichier:

PDF, 645 KB

english, 1994

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

Peter V. Maye, Mihaly Mezei

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1996

Langue:

english

Fichier:

PDF, 693 KB

english, 1996

Solvent effect on the conformation of the Hoechst 33258 agent

Anne-Marie Sapse, Mihaly Mezei, Iuli Karakhanov, Duli C. Jain

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1997

Langue:

english

Fichier:

PDF, 497 KB

english, 1997

Identification of a Novel Binding Site Between HIV Type 1 Nef C-Terminal Flexible Loop and AP2 Required for Nef-Mediated CD4 Downregulation

Jin, Yong-Jiu, Cai, Catherine Yi, Mezei, Mihaly, Ohlmeyer, Michael, Sanchez, Roberto, Burakoff, Steven J.

Journal:

AIDS Research and Human Retroviruses

Année:

2013

Langue:

english

Fichier:

PDF, 473 KB

english, 2013

Virial-bias Monte Carlo methods

Kentsis, Alex, Mezei, Mihaly, Osman, Roman

Journal:

Molecular Physics

Année:

1983

Langue:

english

Fichier:

PDF, 395 KB

english, 1983

MC-PHS: A Monte Carlo Implementation of the Primary Hydration Shell for Protein Folding and Design

Journal:

David L. Beveridge, Mihaly Mezei, Prem K. Mehrotra, Francis T. Marchese, Vasu Thirumalai, Ganesan Ravi-Shanker

Année:

2003

Langue:

english

Fichier:

PDF, 525 KB

english, 2003

LIQUID STATE COMPUTER SIMULATIONS OF BIOMOLECULAR SOLVATION PROBLEMS

Journal:

Annals of the New York Academy of Sciences

Année:

1981

Langue:

english

Fichier:

PDF, 1.15 MB

english, 1981

Interface Volume As A Possible Diagnostic Of The Quality Of Protein-protein Docking

Journal:

Lupyan, Dmitry, Mezei, Mihaly, Logothetis, Diomedes E., Osman, Roman

Année:

2009

Langue:

english

Fichier:

PDF, 34 KB

english, 2009

A Molecular Dynamics Investigation of Lipid Bilayer Perturbation by PIP2

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 717 KB

english, 2010

MMC: A Monte Carlo and Analysis Program

Journal: