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Direct determination of the base-pair force constant of DNA from the acoustic phonon dispersion of the double helix

Physical review letters, 2011-08, Vol.107 (8), p.088102-088102, Article 088102

2011

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Nonlinear diffusion in two-dimensional ordered porous media based on a free volume theory

The Journal of chemical physics, 2009-12, Vol.131 (23), p.234106-234106

2009

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Inversion of pore size dependence of solute transport kinetics from increasingly attractive ordered porous matrix

Europhysics letters, 2010-12, Vol.92 (6), p.60011

2010

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Is the First Hydration Shell of Lysozyme of Higher Density Than Bulk Water?

Proceedings of the National Academy of Sciences - PNAS, 2002-04, Vol.99 (8), p.5378-5383

2002

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Molecular dynamics integration and molecular vibrational theory. I. New symplectic integrators

The Journal of chemical physics, 2005-05, Vol.122 (17), p.174101-174101

2005

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Collagen and component polypeptides: Low frequency and amide vibrations

Chemical physics, 2009-01, Vol.355 (2), p.141-148

2009

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Nonlinear diffusion in two-dimensional ordered porous media basedon a free volume theory

The Journal of chemical physics, 2009-12, Vol.131 (23), p.234106-234106-12

2009

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Structure, dynamics and reactions of protein hydration water

Philosophical transactions of the Royal Society of London. Series B. Biological sciences, 2004-08, Vol.359 (1448), p.1181-1190

2004

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Atomistic model of DNA: phonons and base-pair opening

Physical review. E, Statistical, nonlinear, and soft matter physics, 2007-09, Vol.76 (3 Pt 1), p.031917-031917, Article 031917

2007

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Microstructural evaluation of Ni-SDC cermet from a representative 2D image and/or a 3D reconstruction based on a stack of images

Materiali in tehnologije, 2017-01, Vol.51 (5), p.775-782

2017

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High-Density Hydration Layer of Lysozymes: Molecular Dynamics Decomposition of Solution Scattering Data

Journal of chemical information and modeling, 2005-11, Vol.45 (6), p.1593-1599

2005

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Molecular electronic structure problem solved by numerical one-electron Green's functions

International journal of quantum chemistry, 2004, Vol.96 (6), p.554-561

Merzel, Franci

2004

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New force field for calcium binding sites in annexin-membrane complexes

Journal of computational chemistry, 2006-03, Vol.27 (4), p.446-452

2006

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Direct orbital-free calculations using DFT and one-electron Green's functions: applications to atoms

Chemical physics letters, 1996-12, Vol.263 (3), p.507-512

Merzel, Franci

1996

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Charge populations of, and water binding at, the oxygen atoms of some simple esters

Journal of molecular structure, 1993-12, Vol.300, p.233-238

1993

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SASSIM: a method for calculating small-angle X-ray and neutron scattering and the associated molecular envelope from explicit-atom models of solvated proteins

Acta crystallographica. Section D, Biological crystallography., 2002-02, Vol.58 (2), p.242-249

2002

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Protein hydration water: Structure and thermodynamics

Journal of molecular liquids, 2002-11, Vol.101 (1), p.27-33

2002

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Calculation of small angle scattering intensities from molecular dynamics simulation

Cellular & molecular biology letters, 2002, Vol.7 (1), p.134-135

2002

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Split Integration Symplectic Method for Molecular Dynamics Integration

Journal of Chemical Information and Computer Sciences, 1997-11, Vol.37 (6), p.1048-1054

1997

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The Complexity of Parallel Symplectic Molecular Dynamics Algorithms

Journal of Chemical Information and Computer Sciences, 1997-11, Vol.37 (6), p.1055-1062

1997

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Computational complexity of split symplectic MD integration method

Advances in Parallel Computing, 1998, Vol.12, p.541-548

1998

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An Efficient Symplectic Integration Algorithm for Molecular Dynamics Simulations

Journal of chemical information and computer sciences, 1995-03, Vol.35 (2), p.321-326

1995

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ChemInform Abstract: Charge Populations of, and Water Binding at, the Oxygen Atoms of Some Simple Esters

ChemInform, 1994-03, Vol.25 (9), p.no-no

1994

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Implications of microbial enhanced oil recovery and waterflooding for geochemical interpretation of recovered oils

Anais da Academia Brasileira de Ciências, 2022-01, Vol.94 (suppl 3), p.e20211433-e20211433

2022

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Smoking cessation among U.S. Hispanic/Latino adults: Findings from the Hispanic Community Health Study/Study of Latinos (HCHS/SOL)

Preventive medicine, 2015-12, Vol.81, p.412-419

2015

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Direct determination of the base-pair force constant of DNA from the acoustic phonon dispersion of the double helix

Nonlinear diffusion in two-dimensional ordered porous media based on a free volume theory

Inversion of pore size dependence of solute transport kinetics from increasingly attractive ordered porous matrix

Is the First Hydration Shell of Lysozyme of Higher Density Than Bulk Water?

Molecular dynamics integration and molecular vibrational theory. I. New symplectic integrators

Collagen and component polypeptides: Low frequency and amide vibrations

Nonlinear diffusion in two-dimensional ordered porous media basedon a free volume theory

Structure, dynamics and reactions of protein hydration water

Atomistic model of DNA: phonons and base-pair opening

Microstructural evaluation of Ni-SDC cermet from a representative 2D image and/or a 3D reconstruction based on a stack of images

High-Density Hydration Layer of Lysozymes: Molecular Dynamics Decomposition of Solution Scattering Data

Molecular electronic structure problem solved by numerical one-electron Green's functions

New force field for calcium binding sites in annexin-membrane complexes

Direct orbital-free calculations using DFT and one-electron Green's functions: applications to atoms

Charge populations of, and water binding at, the oxygen atoms of some simple esters

SASSIM: a method for calculating small-angle X-ray and neutron scattering and the associated molecular envelope from explicit-atom models of solvated proteins

Protein hydration water: Structure and thermodynamics

Calculation of small angle scattering intensities from molecular dynamics simulation

Split Integration Symplectic Method for Molecular Dynamics Integration

The Complexity of Parallel Symplectic Molecular Dynamics Algorithms

Computational complexity of split symplectic MD integration method

An Efficient Symplectic Integration Algorithm for Molecular Dynamics Simulations

ChemInform Abstract: Charge Populations of, and Water Binding at, the Oxygen Atoms of Some Simple Esters

Implications of microbial enhanced oil recovery and waterflooding for geochemical interpretation of recovered oils

Smoking cessation among U.S. Hispanic/Latino adults: Findings from the Hispanic Community Health Study/Study of Latinos (HCHS/SOL)

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