Anders Wallqvist
Anders Wallqvist
United States Army Medical Research and Development Command
Verified email at bhsai.org
Title
Cited by
Cited by
Year
Investigation of the temperature dependence of dielectric relaxation in liquid water by THz reflection spectroscopy and molecular dynamics simulation
C Rønne, L Thrane, PO Åstrand, A Wallqvist, KV Mikkelsen, SR Keiding
The Journal of chemical physics 107, 5319, 1997
6281997
A molecular dynamics study of polarizable water
P Ahlström, A Wallqvist, S Engström, B Jönsson
Molecular Physics 68 (3), 563-581, 1989
4871989
Intermolecular potentials for the water-benzene and the benzene-benzene systems calculated in an ab initio SCFCI approximation
G Karlstroem, P Linse, A Wallqvist, B Joensson
Journal of the American Chemical Society 105 (12), 3777-3782, 1983
3931983
Hydrophobic interactions in aqueous urea solutions with implications for the mechanism of protein denaturation
A Wallqvist, DG Covell, D Thirumalai
Journal of the American Chemical Society 120 (2), 427-428, 1998
3151998
Computer simulation of hydrophobic hydration forces on stacked plates at short range
A Wallqvist, BJ Berne
The Journal of Physical Chemistry 99 (9), 2893-2899, 1995
3141995
Simplified amino acid alphabets for protein fold recognition and implications for folding
LR Murphy, A Wallqvist, RM Levy
Protein engineering 13 (3), 149-152, 2000
2792000
Classification of scaffold-hopping approaches
H Sun, G Tawa, A Wallqvist
Drug discovery today 17 (7-8), 310-324, 2012
2132012
Correlation between native-state hydrogen exchange and cooperative residue fluctuations from a simple model
I Bahar, A Wallqvist, DG Covell, RL Jernigan
Biochemistry 37 (4), 1067-1075, 1998
1821998
New intermolecular energy calculation scheme: applications to potential surface and liquid properties of water
A Wallqvist, P Ahlström, G Karlström
Journal of Physical Chemistry 94 (4), 1649-1656, 1990
1821990
Effective potentials for liquid water using polarizable and nonpolarizable models
A Wallqvist, BJ Berne
The Journal of Physical Chemistry 97 (51), 13841-13851, 1993
1781993
Properties of flexible water models
A Wallqvist, O Teleman
Molecular Physics 74 (3), 515-533, 1991
1771991
Anticancer metal compounds in NCI's tumor-screening database: putative mode of action
R Huang, A Wallqvist, DG Covell
Biochemical pharmacology 69 (7), 1009-1039, 2005
1762005
Molecular dynamics study of the dependence of water solvation free energy on solute curvature and surface area
A Wallqvist, BJ Berne
The Journal of Physical Chemistry 99 (9), 2885-2892, 1995
1641995
Behavior of the hydrated electron at different temperatures: structure and absorption spectrum
A Wallqvist, G Martyna, BJ Berne
The Journal of Physical Chemistry 92 (7), 1721-1730, 1988
1631988
Localization of an excess electron in water clusters
A Wallqvist, D Thirumalai, BJ Berne
The Journal of chemical physics 85 (3), 1583-1591, 1986
1541986
A preference‐based free‐energy parameterization of enzyme‐inhibitor binding. Applications to HIV‐1‐protease inhibitor design
A Wallqvist, RL Jernigan, DG Covell
Protein Science 4 (9), 1881-1903, 1995
1521995
Path integral Monte Carlo study of the hydrated electron
A Wallqvist, D Thirumalai, BJ Berne
The Journal of chemical physics 86 (11), 6404-6418, 1987
1521987
Molecular models of water: Derivation and description
A Wallqvist, RD Mountain
Reviews in Computational Chemistry 13, 183-248, 1999
1441999
Synthesis and biological properties of novel pyridinioalkanoyl thiolesters (PATE) as anti-HIV-1 agents that target the viral nucleocapsid protein zinc fingers
JA Turpin, Y Song, JK Inman, M Huang, A Wallqvist, A Maynard, ...
Journal of medicinal chemistry 42 (1), 67-86, 1999
1371999
Distinguishing native conformations of proteins from decoys with an effective free energy estimator based on the opls all‐atom force field and the surface generalized Born …
AK Felts, E Gallicchio, A Wallqvist, RM Levy
Proteins: Structure, Function, and Bioinformatics 48 (2), 404-422, 2002
1322002
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Articles 1–20