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DUOXA1 gene
Known as:
FLJ32334
, NUMBIP
, mol
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National Institutes of Health
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Highly Cited
2009
Highly Cited
2009
Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
A. Marenich
,
C. Cramer
,
D. Truhlar
Journal of Physical Chemistry B
2009
Corpus ID: 18425993
We present a new continuum solvation model based on the quantum mechanical charge density of a solute molecule interacting with a…
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Highly Cited
2007
Highly Cited
2007
Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases.
J. VandeVondele
,
J. Hutter
Journal of Chemical Physics
2007
Corpus ID: 20423443
We present a library of Gaussian basis sets that has been specifically optimized to perform accurate molecular calculations based…
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Highly Cited
2006
Highly Cited
2006
Semiempirical hybrid density functional with perturbative second-order correlation.
S. Grimme
Journal of Chemical Physics
2006
Corpus ID: 28234414
A new hybrid density functional for general chemistry applications is proposed. It is based on a mixing of standard generalized…
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Highly Cited
2004
Highly Cited
2004
Development and testing of a general amber force field
Junmei Wang
,
R. Wolf
,
J. Caldwell
,
P. Kollman
,
D. Case
Journal of Computational Chemistry
2004
Corpus ID: 18734898
We describe here a general Amber force field (GAFF) for organic molecules. GAFF is designed to be compatible with existing Amber…
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Highly Cited
2002
Highly Cited
2002
Fast, efficient generation of high‐quality atomic charges. AM1‐BCC model: II. Parameterization and validation
A. Jakalian
,
D. Jack
,
C. Bayly
Journal of Computational Chemistry
2002
Corpus ID: 26061952
We present the first global parameterization and validation of a novel charge model, called AM1‐BCC, which quickly and…
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Highly Cited
1991
Highly Cited
1991
Gaussian-2 theory for molecular energies of first- and second-row compounds
L. Curtiss
,
K. Raghavachari
,
G. Trucks
,
J. Pople
1991
Corpus ID: 59456240
The Gaussian‐2 theoretical procedure (G2 theory), based on ab initio molecular orbital theory, for calculation of molecular…
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Highly Cited
1990
Highly Cited
1990
Determination of carbonyl content in oxidatively modified proteins.
R. Levine
,
D. Garland
,
+6 authors
E. Stadtman
Methods in Enzymology
1990
Corpus ID: 36521554
Highly Cited
1977
Highly Cited
1977
Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms
N. L. Allinger
1977
Corpus ID: 56130950
An improved force field for molecular mechanics calculations of the structures and energies of hydrocarbons is presented. The…
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Highly Cited
1975
Highly Cited
1975
Transfer of proteins across membranes. I. Presence of proteolytically processed and unprocessed nascent immunoglobulin light chains on membrane-bound ribosomes of murine myeloma
G. Blobel
,
B. Dobberstein
Journal of Cell Biology
1975
Corpus ID: 966754
Fractionation of MOPC 41 DL-1 tumors revealed that the mRNA for the light chain of immunoglobulin is localized exclusively in…
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Highly Cited
1973
Highly Cited
1973
Maturation of the head of bacteriophage T4. I. DNA packaging events.
U. Laemmli
,
M. Favre
Journal of Molecular Biology
1973
Corpus ID: 38361094
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