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Top Articles

#TitleJournalYearCitations
1Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approachPhysical Review E1995716
2The inhomogeneous structure of water at ambient conditionsProceedings of the National Academy of Sciences of the United States of America2009526
3Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine LipidsJournal of Physical Chemistry B2012486
4Visualization of solvation structures in liquid mixturesJournal of Molecular Graphics and Modelling1997414
5An Extension and Further Validation of an All-Atomistic Force Field for Biological MembranesJournal of Chemical Theory and Computation2012408
6Concentration Effects in Aqueous NaCl Solutions. A Molecular Dynamics SimulationThe Journal of Physical Chemistry1996256
7Another Piece of the Membrane Puzzle: Extending Slipids FurtherJournal of Chemical Theory and Computation2013237
8Symmetry principles in the nuclear magnetic resonance of spinning solids: Heteronuclear recoupling by generalized Hartmann–Hahn sequencesJournal of Chemical Physics2001206
9Theory of nuclear spin relaxation in paramagnetic systems in solutionProgress in Nuclear Magnetic Resonance Spectroscopy1985200
10Three-Dimensional Structure in Water−Methanol MixturesJournal of Physical Chemistry A1997199
11Synchronous helical pulse sequences in magic-angle spinning nuclear magnetic resonance: Double quantum recoupling of multiple-spin systemsJournal of Chemical Physics2000199
12Hydration of Li+ ion. An ab initio molecular dynamics simulationJournal of Chemical Physics2001195
13Multiscale modeling of lipids and lipid bilayersEuropean Biophysics Journal2005146
14Structure of DNA hydration shells studied by Raman spectroscopyBiopolymers1989142
15Systematic coarse-graining of molecular models by the Newton inversion methodFaraday Discussions2010139
16Theoretical approximations to X-ray absorption spectroscopy of liquid water and iceJournal of Electron Spectroscopy and Related Phenomena2010132
17A Monte Carlo simulation study of electrostatic forces between hexagonally packed DNA double helicesJournal of Chemical Physics1986127
18New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixturesJournal of Computational Chemistry2007124
19On the Competition between Water, Sodium Ions, and Spermine in Binding to DNA: A Molecular Dynamics Computer Simulation StudyBiophysical Journal2002118
20Molecular dynamics simulation of a nematic liquid crystalJournal of Chemical Physics1994117
21NMR RELAXATION IN SOLUTION OF PARAMAGNETIC COMPLEXES: RECENT THEORETICAL PROGRESS FOR S≥1Advances in Inorganic Chemistry2005112
22Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient ConditionsJournal of Physical Chemistry B2015109
23Competitive Binding of Mg2+, Ca2+, Na+, and K+ Ions to DNA in Oriented DNA Fibers: Experimental and Monte Carlo Simulation ResultsBiophysical Journal1999108
24Exploring the Free Energy Landscape of Solutes Embedded in Lipid BilayersJournal of Physical Chemistry Letters2013103
25High-resolution 1 H NMR in the solid state using symmetry-based pulse sequencesChemical Physics Letters2001101
26Computer Simulation Study oftert-Butyl Alcohol. 2. Structure in Aqueous SolutionJournal of Physical Chemistry B200094
27Nuclear spin relaxation in paramagnetic complexes of S=1: Electron spin relaxation effectsJournal of Chemical Physics199993
28A Molecular Dynamics Investigation of the Influence of Hydration and Temperature on Structural and Dynamical Properties of a Dimyristoylphosphatidylcholine BilayerJournal of Physical Chemistry B200692
29Low-Frequency Raman Spectra of Lysozyme Crystals and Oriented DNA Films: Dynamics of Crystal WaterBiophysical Journal199887
30Monte Carlo Simulation Study of DNA Polyelectrolyte Properties in the Presence of Multivalent Polyamine IonsJournal of Physical Chemistry B199786
31Aggregated DNA in ethanol solutionFEBS Letters199585
32Anisotropic self-diffusion in thermotropic liquid crystals studied by1Hand2Hpulse-field-gradient spin-echo NMRPhysical Review E200284
33Structural Evidence for the Ordered Crystallites of Ionic Liquid in Confined Carbon NanotubesJournal of Physical Chemistry C200982
34Molecular Dynamics Simulations of DNA in Solution with Different Counter-ionsJournal of Biomolecular Structure and Dynamics199881
35Effective potentials for ion–DNA interactionsJournal of Chemical Physics199981
36On Coarse-Graining by the Inverse Monte Carlo Method: Dissipative Particle Dynamics Simulations Made to a Precise Tool in Soft Matter ModelingSoft Materials200278
37Homonuclear Zero-Quantum Recoupling in Fast Magic-Angle Spinning Nuclear Magnetic ResonanceJournal of Magnetic Resonance200277
38Measurements of motionally averaged heteronuclear dipolar couplings in MAS NMR using R-type recouplingJournal of Magnetic Resonance200477
39Effect of Local Anesthetic Lidocaine on Electrostatic Properties of a Lipid BilayerBiophysical Journal200876
40The polyelectrolyte properties of chromatinSoft Matter201276
41A molecular dynamics simulation study of oriented DNA with polyamine and sodium counterions: diffusion and averaged binding of water and cationsNucleic Acids Research200375
42Heteronuclear dipolar recoupling in liquid crystals and solids by PISEMA-type pulse sequencesJournal of Magnetic Resonance200373
43Heating caused by radiofrequency irradiation and sample rotation in13C magic angle spinning NMR studies of lipid membranesMagnetic Resonance in Chemistry200473
44Effective macroion-macroion potentials in asymmetric electrolytesPhysical Review E200171
45NMR methods applied to anisotropic diffusionMagnetic Resonance in Chemistry200271
46Molecular dynamics simulations of local anesthetic articaine in a lipid bilayerBiophysical Chemistry201069
47Computer Modeling Demonstrates that Electrostatic Attraction of Nucleosomal DNA is Mediated by Histone TailsBiophysical Journal200667
48Polymorphic Phase Behavior of Cardiolipin Derivatives Studied by Coarse-Grained Molecular DynamicsJournal of Physical Chemistry B200767
49Molecular dynamics and NMR study of methane-water systemsMolecular Physics199165
50Topological and spatial structure in the liquid-water–acetonitrile mixturePhysical Review E199863