antiviral agents - chemical synthesis - chemistry - pharmacology |
11 |
carboxypeptidases - antagonists & inhibitors - metabolism |
11 |
sars virus - drug effects - growth & development - metabolism - physiology |
11 |
severe acute respiratory syndrome - drug therapy |
11 |
viral matrix proteins - antagonists & inhibitors - metabolism |
11 |
biology |
8 |
biotechnology technology: comprehensive works medical sciences chemistry |
8 |
quantum transport |
7 |
atomistic modeling |
5 |
molecular electronics |
5 |
oxide interface |
5 |
acyl-butyrolactones - metabolism |
4 |
bacterial load |
4 |
band-to-band tunneling (btbt) |
4 |
cell proliferation |
4 |
cosimulation |
4 |
coupled simulation |
4 |
culture media |
4 |
diffusion |
4 |
e-v formulation |
4 |
e-v framework |
4 |
eight-band k p model |
4 |
electromagnetics |
4 |
em-tcad |
4 |
escherichia coli k12 - cytology - genetics - growth & development - physiology |
4 |
gene expression regulation, bacterial |
4 |
gene regulatory networks |
4 |
high frequency |
4 |
indium arsenide (inas) nanowires |
4 |
junctionless transistors |
4 |
k.p approach |
4 |
kinetics |
4 |
krylov subspace method |
4 |
low-rank approximation |
4 |
matrix exponential method |
4 |
matrix exponentials |
4 |
model order reduction |
4 |
model order reduction (mor) |
4 |
models, biological |
4 |
movement |
4 |
multiband simulation |
4 |
multiphysics simulations |
4 |
negf |
4 |
newton's methods |
4 |
non-equilibrium transport |
4 |
nonequilibrium green's function (negf) |
4 |
nonequilibrium greens function (negf) |
4 |
physics engineering |
4 |
quorum sensing |
4 |
silicon nanowire transistors |
4 |
source-pocket tfets |
4 |
sparse matrices |
4 |
stiffness reduction |
4 |
synthetic biology |
4 |
tcad |
4 |
time domain |
4 |
transient simulation |
4 |
tunneling field-effect transistors (tfets) |
4 |
amino acid sequence |
3 |
animals |
3 |
atomistic modelling |
3 |
band structure |
3 |
cation transport proteins - chemistry - genetics - metabolism |
3 |
cell membrane - chemistry - metabolism |
3 |
circular dichroism |
3 |
decoherence |
3 |
density functional tight binding |
3 |
density-functional tight binding (dftb) |
3 |
dft |
3 |
few-shot learning |
3 |
instrument monitoring |
3 |
iron-binding proteins - chemistry - genetics - metabolism |
3 |
manganese - chemistry |
3 |
micelles |
3 |
models, molecular |
3 |
molecular sequence data |
3 |
mosfet |
3 |
mutation, missense |
3 |
nuclear magnetic resonance, biomolecular |
3 |
nucleic acid conformation |
3 |
physical chemistry |
3 |
physics |
3 |
physics chemistry |
3 |
poly a - chemistry |
3 |
protein structure, secondary |
3 |
protein structure, tertiary |
3 |
quantum interference |
3 |
rats |
3 |
scanning tunneling microscopy |
3 |
silicon dioxide |
3 |
silicon on insulator (soi). |
3 |
silicon-on-insulator |
3 |
sodium dodecyl sulfate - chemistry |
3 |
solvents |
3 |
spectrometry, mass, electrospray ionization |
3 |
spectrophotometry |
3 |
spin labels |
3 |
temperature |
3 |
transient current |
3 |
transistor |
3 |
activation energy |
2 |
amino acids |
2 |
anaerobic adaptation |
2 |
approximation scheme |
2 |
atomistic model |
2 |
atomistic simulation |
2 |
bismuth citrate |
2 |
calcium dependent antibiotics |
2 |
carrier concentration |
2 |
carrier-envelope phase |
2 |
co2 capture |
2 |
co2rr |
2 |
colicin mediated killing |
2 |
compact model |
2 |
computational costs |
2 |
computer aided design |
2 |
crystal structure |
2 |
cube-connected cycles |
2 |
cyclic tetrapeptides |
2 |
cyclization |
2 |
daptomycin |
2 |
degradation |
2 |
density (specific gravity) |
2 |
density functional theory |
2 |
density-functional tight binding |
2 |
dftb |
2 |
dielectric constant |
2 |
discrete fourier transforms |
2 |
double-layer |
2 |
electric lines |
2 |
electric network analysis |
2 |
electrical engineering |
2 |
electronic device |
2 |
electronic systems |
2 |
embedding |
2 |
esi-ms |
2 |
exchange-correlation functional |
2 |
excited states |
2 |
external voltages |
2 |
films |
2 |
gas dynamics |
2 |
her |
2 |
interconnection networks |
2 |
linear-scaling |
2 |
liouville-von neumann equation |
2 |
machine learning |
2 |
maxwell equations |
2 |
metal–oxide–semiconductor field-effect transistor (mosfet) |
2 |
molecular docking |
2 |
molecular dynamics |
2 |
molecular dynamics (md) |
2 |
nanostructures |
2 |
neural network |
2 |
neural networks |
2 |
nuclear magnetic resonance (nmr) |
2 |
oer |
2 |
oled |
2 |
oligomerization |
2 |
open electronic systems |
2 |
open system |
2 |
optical properties |
2 |
orr |
2 |
outer-membrane porin protein |
2 |
permittivity |
2 |
perturbative nonequilibrium green’s functions |
2 |
phase shift |
2 |
phosphorescent emitters |
2 |
photophysical properties |
2 |
polymeric architecture |
2 |
problem solving |
2 |
real time control |
2 |
routing |
2 |
runge kutta methods |
2 |
silicon |
2 |
silicon carbide |
2 |
solid-state nmr |
2 |
structure analysis |
2 |
surface and interface states |
2 |
surface passivation |
2 |
syngas |
2 |
tft |
2 |
thermal effects |
2 |
time dependent density functional theory |
2 |
time-dependent density functional theory |
2 |
time-dependent dft |
2 |
torsion angle |
2 |
transcription regulation |
2 |
tunneling control |
2 |
universal force field |
2 |
vlsi |
2 |
absorption spectroscopy |
1 |
algorithms |
1 |
alkali |
1 |
approximation theory |
1 |
aris |
1 |
buckminsterfullerene |
1 |
c3+ products |
1 |
cancer/tissue antigen (cta) |
1 |
carbon nanotube |
1 |
carbon nantrbe |
1 |
charge migration |
1 |
charge transfer |
1 |
chemical engineering |
1 |
chemistry |
1 |
chemistry engineering |
1 |
circuit element |
1 |
computer simulations |
1 |
continuous variable |
1 |
coupled electrical-optical simulation |
1 |
coupled oscillator representation |
1 |
cs-qdt |
1 |
density matrix |
1 |
density-functional tight-binding |
1 |
density-functional tight-binding method |
1 |
dimethyl-amino-nitro-stilbene (dans) |
1 |
dissipative baths |
1 |
eigenvalues and eigenfunctions |
1 |
electron energy levels |
1 |
electron-phonon coupling |
1 |
electron-photon interaction |
1 |
electronic transport |
1 |
energy dissipation |
1 |
entropy |
1 |
epitopes |
1 |
equation of motion |
1 |
equilibrium morphology |
1 |
et pathway |
1 |
first-principles |
1 |
first-principles quantum mechanical methods |
1 |
fullerene |
1 |
gcp-k |
1 |
gene expression/methylation |
1 |
ghz oscillator |
1 |
gibbs energy of formation |
1 |
grand canonical potential kinetics |
1 |
graphene |
1 |
green's function |
1 |
growth |
1 |
hla-a*0201 |
1 |
hückel hamiltonian |
1 |
jdftx |
1 |
light trapping |
1 |
linear-scaling methods |
1 |
localized surface plasmon |
1 |
magea10 |
1 |
many-electronic system |
1 |
markovian |
1 |
md simulations |
1 |
memory device |
1 |
memristor |
1 |
metallic nanoparticle |
1 |
moo 3 |
1 |
nano system |
1 |
nanoribbons |
1 |
nanotribology |
1 |
nanotube |
1 |
nonequilibrium green's function |
1 |
nonequilibrium greens function |
1 |
nonequilibrium green’s function |
1 |
nonlinear electric response |
1 |
optical pump-probe |
1 |
optical spectrum |
1 |
photocurrent |
1 |
physical chemistry physics |
1 |
qdt |
1 |
qsar |
1 |
quantum chemistry |
1 |
quantum entanglement |
1 |
second law |
1 |
silicon nanowire |
1 |
surface energy |
1 |
surface structure, morphology, roughness, and topography |
1 |
tdhf |
1 |
tdhf-qdt |
1 |
tim-dependent density functional theory (tddft) |
1 |
time-dependent simulation |
1 |
time-domain |
1 |