Browsing Chemistry & Biochemistry by Subject

Now showing items 1-20 of 57

Subject
ab-initio calculations [1]
Archaea Iron-sulfur protein Oxidative stress Redox regulation RNA polymerase Transcription methanogen [1]
atom pair [1]
Background: Asymmetric and symmetric dimethylarginine (ADMA and SDMA) residues are biologically distinct products of protein arginine methyltransferase (PRMT) isoforms. Results: Met-48 in PRMT1 regulates the regiochemistry of dimethylation, and SDMA formation is energetically costly. Conclusion: Steric changes in the PRMT1 active site can reprogram product formation. Significance: SDMA-forming PRMTs may require additional factors to overcome the energetic cost of SDMA. [1]
BASIS-SET CONVERGENCE; DENSITY-FUNCTIONAL THEORY; COUPLED-CLUSTER THEORY; RESOLUTION INFRARED-SPECTRUM; QUANTUM-CHEMICAL METHODS; 2ND VIRIAL-COEFFICIENT; AB-INITIO CALCULATIONS; SMALL WATER CLUSTERS; DER-WAALS COMPLEX; NONCOVALENT INTERACTIONS [1]
basis-sets [1]
BASIS-SETS; PLESSET; DIVERGENCE; SPACE; NEON [1]
bond-breaking [1]
catalysts [1]
CCSD(T) interaction energies noble gas helium krypton couple-cluster single noninterative triple [1]
centrosymmetric linear-molecules [1]
cleavage [1]
collision-induced absorption [1]
COLLISION-INDUCED ABSORPTION; INDUCED FUNDAMENTAL-BAND; FAR-INFRARED-ABSORPTION; DER-WAALS COMPLEXES; 1ST OVERTONE BAND; INDUCED LIGHT-SCATTERING; POTENTIAL-ENERGY SURFACE; INDUCED ROTOTRANSLATIONAL SPECTRA; EXTREME-ULTRAVIOLET OBSERVATIONS; DIRECT SPECTROSCOPIC EVIDENCE [1]
CONFIGURATION-INTERACTION SINGLES; POLARIZATION PROPAGATOR; TRANSITION-PROBABILITIES; ELECTRONIC-STRUCTURE; RESPONSE FUNCTIONS; EXCITED-STATES; WAVE-FUNCTION; BASIS-SETS; 3RD-ORDER; MODEL [1]
CONFIGURATION-INTERACTION; ENERGIES; SPACE [1]
consistent basis-sets [1]
CONSISTENT BASIS-SETS; QUANTUM-CHEMISTRY; WAVE-FUNCTIONS; PANCAKE; ATOMS; DIMER; SHELL [1]
convergence behavior [1]
correlated molecular calculations [1]