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Division of Physical Chemistry
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top-articles
Division of Physical Chemistry
369
(top 1%)
papers
13.8K
(top 1%)
citations
58
(top 1%)
h
-index
100
(top 1%)
g
-index
383
all documents
14.2K
doc citations
1.2K
citing journals
Top Articles
#
Title
Journal
Year
Citations
1
Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach
Physical Review E
1995
716
2
The inhomogeneous structure of water at ambient conditions
Proceedings of the National Academy of Sciences of the United States of America
2009
526
3
Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids
Journal of Physical Chemistry B
2012
486
4
Visualization of solvation structures in liquid mixtures
Journal of Molecular Graphics and Modelling
1997
414
5
An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes
Journal of Chemical Theory and Computation
2012
408
6
Concentration Effects in Aqueous NaCl Solutions. A Molecular Dynamics Simulation
The Journal of Physical Chemistry
1996
256
7
Another Piece of the Membrane Puzzle: Extending Slipids Further
Journal of Chemical Theory and Computation
2013
237
8
Symmetry principles in the nuclear magnetic resonance of spinning solids: Heteronuclear recoupling by generalized Hartmann–Hahn sequences
Journal of Chemical Physics
2001
206
9
Theory of nuclear spin relaxation in paramagnetic systems in solution
Progress in Nuclear Magnetic Resonance Spectroscopy
1985
200
10
Three-Dimensional Structure in Water−Methanol Mixtures
Journal of Physical Chemistry A
1997
199
11
Synchronous helical pulse sequences in magic-angle spinning nuclear magnetic resonance: Double quantum recoupling of multiple-spin systems
Journal of Chemical Physics
2000
199
12
Hydration of Li+ ion. An ab initio molecular dynamics simulation
Journal of Chemical Physics
2001
195
13
Multiscale modeling of lipids and lipid bilayers
European Biophysics Journal
2005
146
14
Structure of DNA hydration shells studied by Raman spectroscopy
Biopolymers
1989
142
15
Systematic coarse-graining of molecular models by the Newton inversion method
Faraday Discussions
2010
139
16
Theoretical approximations to X-ray absorption spectroscopy of liquid water and ice
Journal of Electron Spectroscopy and Related Phenomena
2010
132
17
A Monte Carlo simulation study of electrostatic forces between hexagonally packed DNA double helices
Journal of Chemical Physics
1986
127
18
New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures
Journal of Computational Chemistry
2007
124
19
On the Competition between Water, Sodium Ions, and Spermine in Binding to DNA: A Molecular Dynamics Computer Simulation Study
Biophysical Journal
2002
118
20
Molecular dynamics simulation of a nematic liquid crystal
Journal of Chemical Physics
1994
117
21
NMR RELAXATION IN SOLUTION OF PARAMAGNETIC COMPLEXES: RECENT THEORETICAL PROGRESS FOR S≥1
Advances in Inorganic Chemistry
2005
112
22
Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions
Journal of Physical Chemistry B
2015
109
23
Competitive Binding of Mg2+, Ca2+, Na+, and K+ Ions to DNA in Oriented DNA Fibers: Experimental and Monte Carlo Simulation Results
Biophysical Journal
1999
108
24
Exploring the Free Energy Landscape of Solutes Embedded in Lipid Bilayers
Journal of Physical Chemistry Letters
2013
103
25
High-resolution 1 H NMR in the solid state using symmetry-based pulse sequences
Chemical Physics Letters
2001
101
26
Computer Simulation Study oftert-Butyl Alcohol. 2. Structure in Aqueous Solution
Journal of Physical Chemistry B
2000
94
27
Nuclear spin relaxation in paramagnetic complexes of S=1: Electron spin relaxation effects
Journal of Chemical Physics
1999
93
28
A Molecular Dynamics Investigation of the Influence of Hydration and Temperature on Structural and Dynamical Properties of a Dimyristoylphosphatidylcholine Bilayer
Journal of Physical Chemistry B
2006
92
29
Low-Frequency Raman Spectra of Lysozyme Crystals and Oriented DNA Films: Dynamics of Crystal Water
Biophysical Journal
1998
87
30
Monte Carlo Simulation Study of DNA Polyelectrolyte Properties in the Presence of Multivalent Polyamine Ions
Journal of Physical Chemistry B
1997
86
31
Aggregated DNA in ethanol solution
FEBS Letters
1995
85
32
Anisotropic self-diffusion in thermotropic liquid crystals studied by1Hand2Hpulse-field-gradient spin-echo NMR
Physical Review E
2002
84
33
Structural Evidence for the Ordered Crystallites of Ionic Liquid in Confined Carbon Nanotubes
Journal of Physical Chemistry C
2009
82
34
Molecular Dynamics Simulations of DNA in Solution with Different Counter-ions
Journal of Biomolecular Structure and Dynamics
1998
81
35
Effective potentials for ion–DNA interactions
Journal of Chemical Physics
1999
81
36
On Coarse-Graining by the Inverse Monte Carlo Method: Dissipative Particle Dynamics Simulations Made to a Precise Tool in Soft Matter Modeling
Soft Materials
2002
78
37
Homonuclear Zero-Quantum Recoupling in Fast Magic-Angle Spinning Nuclear Magnetic Resonance
Journal of Magnetic Resonance
2002
77
38
Measurements of motionally averaged heteronuclear dipolar couplings in MAS NMR using R-type recoupling
Journal of Magnetic Resonance
2004
77
39
Effect of Local Anesthetic Lidocaine on Electrostatic Properties of a Lipid Bilayer
Biophysical Journal
2008
76
40
The polyelectrolyte properties of chromatin
Soft Matter
2012
76
41
A molecular dynamics simulation study of oriented DNA with polyamine and sodium counterions: diffusion and averaged binding of water and cations
Nucleic Acids Research
2003
75
42
Heteronuclear dipolar recoupling in liquid crystals and solids by PISEMA-type pulse sequences
Journal of Magnetic Resonance
2003
73
43
Heating caused by radiofrequency irradiation and sample rotation in13C magic angle spinning NMR studies of lipid membranes
Magnetic Resonance in Chemistry
2004
73
44
Effective macroion-macroion potentials in asymmetric electrolytes
Physical Review E
2001
71
45
NMR methods applied to anisotropic diffusion
Magnetic Resonance in Chemistry
2002
71
46
Molecular dynamics simulations of local anesthetic articaine in a lipid bilayer
Biophysical Chemistry
2010
69
47
Computer Modeling Demonstrates that Electrostatic Attraction of Nucleosomal DNA is Mediated by Histone Tails
Biophysical Journal
2006
67
48
Polymorphic Phase Behavior of Cardiolipin Derivatives Studied by Coarse-Grained Molecular Dynamics
Journal of Physical Chemistry B
2007
67
49
Molecular dynamics and NMR study of methane-water systems
Molecular Physics
1991
65
50
Topological and spatial structure in the liquid-water–acetonitrile mixture
Physical Review E
1998
63
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