1,2,4-Triazine [1] |
2,3-Dehydronaphthalene [1] |
2-Azaanthracene-based fluorophores [1] |
5,5?-diaryl-2,2?-bypiridine [1] |
5,5′-diaryl-2,2′-bypiridine [1] |
[1, 2,4]triazolo[1, 5-d][1, 2,4]triazines [1] |
Ab initio potential energy surface [3] |
Ab initio potentials [1] |
ab-initio/DFT, ReaxFF [1] |
Absorption maxima [1] |
adamantane [1] |
Addison�s disease [1] |
alcohols [1] |
Alzheimer�s disease [1] |
Anti-conformations [1] |
anti-filarial [1] |
Anti-filarial molecules [1] |
Antioxidant [1] |
AODV [1] |
ARAN [1] |
aristololactam [1] |
Arsenate hydrolysis [1] |
Artificial intelligence / Machine learning [1] |
astrochemistry [1] |
Atoms [1] |
autoimmune diseases [1] |
Ayurveda [1] |
Aza-Diels-Alder reaction [1] |
aza-Diels–Alder reaction [1] |
aziridine ring-opening [1] |
Bcl-XL [1] |
bioinformatics [1] |
Biomolecules [1] |
Blackhole [1] |
Bluetongue [1] |
Brain [1] |
Calculations [2] |
Carbon nano onions [1] |
Carbonylation [1] |
Catalyst-free [1] |
Cerebrospinal fluid [1] |
Cesium compounds [1] |
Charge transfer [1] |
Charge transfer state [1] |
Chemical evolution [1] |
Chemical shift [1] |
Chemical stability [1] |
Condition [1] |
Coupling reagents [1] |
Covalent bond [1] |
cytosine [1] |
De-excitations [1] |
Degrees of freedom (mechanics) [1] |
Density functional perturbation theory [1] |
Density functional theory [2] |
depth [1] |
Descriptors [1] |
DFT [1] |
DFT studies [1] |
DFT study [1] |
DHFR [1] |
Diatomic species [1] |
digital expression [1] |
Dimers [1] |
Dimroth rearrangement [1] |
DNA adduct [1] |
DNA conformation [1] |
DNA modelling [1] |
DNA structure [1] |
Domain of applicability analysis [1] |
Duplex structures [1] |
Dynamics [1] |
Dynorphin [1] |
Dysregulation [1] |
E-factors [1] |
Elephantiasis [1] |
Endohedral fullerene [1] |
Energy point [1] |
Energy transfer [2] |
energy transfer [1] |
eNOS [1] |
Entamoeba histolytica [1] |
Excitation process [1] |
Ferromagnetism [1] |
Filariasis [1] |
Fluorescence [1] |
fluorophores [1] |
Four dimensions [1] |
Fullerene [2] |
Functionalizations [1] |
G-quadruplex structure [1] |
Genetic algorithm [1] |
Genus orbivirus [1] |
Germline variations [1] |
GloMoSim [1] |
GnRH [1] |
Graves� disease [1] |
Ground electronic state [1] |
guanine conformational transition [1] |
H2 molecule [1] |
H<sub>3</sub><sup>+</sup>@C<sub>60</sub> [1] |
Hashimoto�s thyroididtis [1] |
He atoms [1] |
HeH<sup>+</sup>@C<sub>60</sub> [1] |
Hydrogen bonds [1] |
Hydrogen-bonded dimers [1] |
in silico methods/analysis [1] |
Inelastic collision [1] |
Inelastic cross sections [2] |
iNOS [1] |
Integral cross-sections [1] |
intercalation complex [1] |
Interstellar mediums [1] |
IP-Spoofing [1] |
ISM: molecules [1] |
Kisspeptin [2] |
KNDy [2] |
Local spin density approximation [1] |
Lymphatic filariasis [1] |
Macrophage mediated immunity [1] |
Magnetic resonance [1] |
Magnetic resonance spectra [1] |
Magnetic resonance spectroscopy [1] |
Male breast cancer [1] |
MD simulation [2] |
Mechanistics [1] |
MelF [1] |
methods: numerical [1] |
Microenvironments [1] |
miRNA [1] |
MLR [1] |
molecular data [1] |
Molecular dynamics simulation [1] |
molecular dynamics simulations [1] |
Molecular modelling [1] |
Molecular physics [1] |
molecular processes [1] |
Molecules [1] |
Monomers [1] |
Mucosa [1] |
mutagenicity [1] |
myasthenia gravis [1] |
N-aryl benzamides [1] |
nanoparticles [1] |
Network study [1] |
Neural networks [1] |
Neurodegeneration [1] |
Neurodegenerative [1] |
Neuroprotective [1] |
Neurotransmission [1] |
Nipah virus [1] |
Nitric oxide [1] |
Nitric oxide synthase [1] |
NKB [2] |
NNOS [1] |
nNOS [2] |
non-structural protein C [1] |
Novel missense alterations [1] |
NRDB [1] |
Nuclear magnetic resonance [1] |
nucleotide sequence [1] |
Oxalic acid as CO source [1] |
Palladium catalyst [1] |
PCA [1] |
PCOS [1] |
pernicious anaemia [1] |
Perturbation techniques [1] |
Phosphate hydrolysis [1] |
photodissociation region (PDR) [1] |
Photophysical properties [2] |
Photophysical studies [2] |
phytochemicals [1] |
plarity [1] |
Pneumonia [1] |
Point value [1] |
Porous carbon and CNO- composites [1] |
Positive ions [2] |
post-translational modification [1] |
Potash [1] |
Potential energy [3] |
Potential energy surfaces [2] |
PPInS [1] |
Pre-rRNA processing [1] |
Probes [1] |
protein DNA interaction [1] |
protein engineering [1] |
protein folding energy calculation [1] |
Protein interaction [1] |
Protein-protein interactions [1] |
Proton exchange reaction [1] |
Proton NMR [1] |
protrusion [1] |
psoriatic arthritis [1] |
QSAR model [1] |
Quantum calculations [1] |
Quantum chemistry [3] |
Quantum dynamics [2] |
Quantum mechanics/molecular mechanics [1] |
Quantum theory [1] |
Rate coefficients [2] |
Rate constants [1] |
Reaction rate coefficients [1] |
Regio-selective [1] |
Regioisomers [1] |
Regioselective functionalization [1] |
Regioselectivity [1] |
Reoviridae [1] |
residue interface propensity
hydrophobicity [1] |
Ribosome biogenesis [1] |
RNase [1] |
Rotational excitation [2] |
Rovibrational [1] |
Rovibrational excitation [1] |
Second order perturbation theory [1] |
Sheep breeds [1] |
SNPs [1] |
SOD1 [1] |
Sodium azide [1] |
solvation free energy [1] |
Solvatochromism [2] |
Sore muzzle disease [1] |
structure prediction methods [1] |
Supercapacitor [1] |
sustainable chemistry [1] |
Suzuki cross-coupling [2] |
Synthesised [1] |
synthetic methods [1] |
systematic lupus erthyematosus [1] |
Thermal melting [1] |
Thrombin binding [1] |
Time dependent density functional theory [1] |
Tinospora cordifolia [1] |
Transcription [1] |
transcription factor binding sites [1] |
transcription factors [1] |
Transcriptome [1] |
triazines [1] |
Validation [1] |
vasculitis [1] |
Vasodilation [1] |
Vertical excitation energy [1] |
virtual screening [2] |
Virus [1] |
W. bancrofti [3] |
WbGST [1] |
Weyl fermions [1] |
“1,2,4-Triazine method “ [1] |
“1,2,4-Triazine method” [1] |
“Push-pull” fluorophores [1] |
“push-pull” fluorophores [1] |