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calbindin d-9k (98) 98
biochemistry & molecular biology (62) 62
animals (59) 59
calbindin-d-9k (53) 53
calcium - metabolism (42) 42
index medicus (41) 41
calbindins (40) 40
calcium-binding protein (37) 37
female (33) 33
gene-expression (33) 33
models, molecular (29) 29
rats (28) 28
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proteins (24) 24
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messenger-rna (23) 23
protein binding (23) 23
calcium-binding proteins (22) 22
endocrine disruptors (21) 21
s100 calcium binding protein g - metabolism (21) 21
amino acid sequence (20) 20
calcium (20) 20
mice (20) 20
s100 calcium binding protein g - genetics (20) 20
cell biology (19) 19
research (19) 19
s100 calcium binding protein g - chemistry (19) 19
endocrinology & metabolism (18) 18
male (18) 18
molecular sequence data (18) 18
protein conformation (18) 18
binding protein (17) 17
ca2+ binding (17) 17
calmodulin (17) 17
thermodynamics (17) 17
vitamin-d (17) 17
calbindin-d (16) 16
rat uterus (16) 16
transport (16) 16
uterus (16) 16
biophysics (15) 15
bisphenol-a (15) 15
calbindin-d-9k messenger-rna (15) 15
chemistry, multidisciplinary (15) 15
chemistry, physical (15) 15
ef-hand (15) 15
nuclear-magnetic-resonance (15) 15
pregnancy (15) 15
binding sites (14) 14
gene expression (14) 14
nmr-spectroscopy (14) 14
analysis (13) 13
calbindin-d 9k (13) 13
calcium-binding proteins - chemistry (13) 13
natural sciences (13) 13
naturvetenskap (13) 13
progesterone (13) 13
rats, sprague-dawley (13) 13
toxicology (13) 13
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ca2+-binding proteins (12) 12
calbindin-d9k (12) 12
calcium-binding (12) 12
calcium-binding proteins - metabolism (12) 12
estrogen (12) 12
in-vitro (12) 12
ion-binding (12) 12
protein structure, tertiary (12) 12
rna, messenger - metabolism (12) 12
trpv6 (12) 12
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kinetics (11) 11
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static electricity (11) 11
1,25-dihydroxyvitamin d-3 (10) 10
binding (10) 10
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intestine (10) 10
molecular-cloning (10) 10
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placenta (10) 10
backbone dynamics (9) 9
developmental biology (9) 9
dose-response relationship, drug (9) 9
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physics, atomic, molecular & chemical (9) 9
protein (9) 9
troponin-c (9) 9
breast-cancer cells (8) 8
calbindin d9k (8) 8
calcium - chemistry (8) 8
calmodulin - chemistry (8) 8
cells (8) 8
chemical sciences (8) 8
crystal-structure (8) 8
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ef hand motifs (8) 8
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Journal of the American Chemical Society, ISSN 0002-7863, 06/2018, Volume 140, Issue 24, pp. 7688 - 7697
Measurements of paramagnetic relaxation enhancements (PREs) in 1H NMR spectra are an important tool to obtain long-range distance information in proteins, but... 
SITE | SOLID-STATE NMR | STRUCTURE REFINEMENT | SUSCEPTIBILITY | MAGNETIC-RESONANCE | PSEUDOCONTACT SHIFTS | CALCIUM-BINDING | CALBINDIN D-9K | DIFFUSION | PROTEINS | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 11/2012, Volume 8, Issue 11, pp. 4672 - 4680
An extremely scalable computational strategy is described for calculations of the potential of mean force (PMF) in multidimensions on massively distributed... 
MOLECULAR-DYNAMICS | LIGAND-BINDING | FLUID | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CALBINDIN D-9K | SIMULATIONS | EF-HANDS | CHARMM | EFFICIENCY | HISTOGRAM ANALYSIS METHOD | PROGRAM
Journal Article
BRAIN RESEARCH BULLETIN, ISSN 0361-9230, 10/2019, Volume 152, pp. 225 - 235
Calbindin-D-9k (CaBP-9k), one of the major calcium-binding and calcium-buffering proteins, is important in the physiological functioning of organs. The... 
Brain | APOPTOSIS | LOCALIZATION | DEXAMETHASONE | Rat | Calcium | PROGESTERONE | MOUSE | ENDOPLASMIC-RETICULUM STRESS | NEUROSCIENCES | Calbindin-D-9k | PITUITARY-GLAND | ESTROGEN | EXPRESSION | Steroid hormones | CALCIUM-BINDING PROTEIN
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 08/2013, Volume 9, Issue 8, pp. 3538 - 3542
Current ion models in molecular mechanics are simple spheres, and their interactions are solely determined from the van der Waals radius of the sphere and the... 
MAGNESIUM | POLARIZABLE FORCE-FIELD | CALCIUM-BINDING PROTEINS | AQUEOUS-SOLUTIONS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CALBINDIN D-9K | WATER EXCHANGE | SOLVATION | HYDRATION | NUCLEIC-ACIDS
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 03/2015, Volume 137, Issue 8, pp. 3093 - 3101
Proton-transfer dynamics plays a critical role in many biochemical processes, such as proton pumping across membranes and enzyme catalysis. The large majority... 
2.8-ANGSTROM RESOLUTION | ENZYMATIC-REACTIONS | CYTOCHROME-C-OXIDASE | PK(A) VALUES | G B1 DOMAIN | NUCLEAR-MAGNETIC-RESONANCE | FREE-ENERGY RELATIONSHIPS | CALBINDIN D-9K | STAPHYLOCOCCAL NUCLEASE | ELECTROSTATIC CONTRIBUTIONS | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
CHEMICAL SCIENCE, ISSN 2041-6520, 06/2017, Volume 8, Issue 6, pp. 4352 - 4362
The aggregation of the amyloid beta peptide (A beta 42), which is linked to Alzheimer's disease, can be altered significantly by modulations of the peptide's... 
FIBRIL FORMATION | LEUCINE-ZIPPER | SALT DEPENDENCE | PROTEIN AGGREGATION | KINETICS | AMYLOID-BETA-PEPTIDE | DISEASE | CHARGES | CALBINDIN D-9K | NUCLEATION MECHANISM | CHEMISTRY, MULTIDISCIPLINARY | Networks | Peptides | Modulation | Switching theory | Agglomeration | Behavior | Electrostatics | Strength
Journal Article
JOURNAL OF COMPUTATIONAL CHEMISTRY, ISSN 0192-8651, 08/2019, Volume 40, Issue 22, pp. 1936 - 1945
Calbindin D-9k is a member of the S100 subfamily of EF-hand calcium binding proteins, and has served as an important model system for biophysical studies. The... 
calbindin D-9k | BACKBONE DYNAMICS | APO | MAGNETIC-RESONANCE RELAXATION | S100 proteins | MACROMOLECULES | SIDE-CHAIN | CRYSTAL-STRUCTURES | CA2+-FREE | molecular dynamics | CHEMISTRY, MULTIDISCIPLINARY | order parameters | MODEL-FREE APPROACH | BIOMOLECULAR SIMULATION
Journal Article
Langmuir, ISSN 0743-7463, 10/2017, Volume 33, Issue 42, pp. 11417 - 11428
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 03/2012, Volume 14, Issue 12, pp. 4181 - 4187
We report a scheme for estimating the acid dissociation constant (pK(a)) based on quantum-chemical calculations combined with a polarizable continuum model,... 
SOLVATION FREE-ENERGIES | MOLECULAR-DYNAMICS | CONSTANTS | NMR-SPECTROSCOPY | NUCLEAR-MAGNETIC-RESONANCE | RATIONALIZATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CALBINDIN D-9K | PROTON | BINDING | PREDICTION | Amino Acids - chemistry | Quantum Theory | Proteins - chemistry | Hydrogen-Ion Concentration
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 08/2016, Volume 120, Issue 33, pp. 8617 - 8630
Parvalbumin (PV) is a globular calcium (Ca2+)-selective protein expressed in a variety of biological tissues. Our computational studies of the rat... 
RAT ALPHA-PARVALBUMIN | ASYMMETRIC ELECTROLYTES | CRYSTAL-STRUCTURE | CARDIAC TROPONIN-C | CA2+ BINDING | CHEMISTRY, PHYSICAL | CALCIUM-BINDING | CALBINDIN D-9K | PRIMITIVE MODEL | PROTEINS | FREE-ENERGY | Thermodynamics | Computational chemistry | Usage | Molecular dynamics | Ions | Calcium compounds | Research | Chemical properties
Journal Article