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Application

Discovery Studio 1.0 Materials Studio 0.46417445482866043 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06229508196721312 Amorphous Cell 0.1422950819672131 Blends 9.836065573770492E-4 CASTEP 0.3062295081967213 CDOCKER 0.17540983606557378 CHARMm 0.3180327868852459 COMPASS 0.18950819672131147 COMPASS III 0.03836065573770492 COSMObase 0.0019672131147540984 COSMOconf 0.0022950819672131148 COSMOmic 0.0 COSMOperm 6.557377049180328E-4 COSMOplex 0.0 COSMOquick 3.278688524590164E-4 COSMOtherm 0.043278688524590166 Catalyst 0.12491803278688525 Classical Simulations 0.7039344262295082 Conformers 3.278688524590164E-4 Crystallization 0.025901639344262296 DFTB Plus 0.0045901639344262295 DMol3 0.11049180327868853 DPD 9.836065573770492E-4 Discover 9.836065573770492E-4 Forcite 0.26754098360655737 GULP 0.01540983606557377 Kinetix 0.0 LUDI 0.003934426229508197 LibDock 0.08622950819672132 LigandFit 0.0019672131147540984 MCSS 0.0 MODELER 0.26459016393442625 MesoDyn 0.0 Mesocite 0.001639344262295082 Mesoscale 0.002622950819672131 Modules 0.0 Morphology 0.006557377049180328 Polymorph 6.557377049180328E-4 QMERA 0.0 QSAR 0.001639344262295082 Quantum Mechanics 0.4068852459016393 Reflex 0.016721311475409836 Reflex Plus 3.278688524590164E-4 Semi-empirical 0.005245901639344262 Sorption 0.02360655737704918 Synthia 3.278688524590164E-4 VAMP 0.0 Visualization 1.0 X-Cell 0.0013114754098360656 ZDOCK 0.029508196721311476

Year

2022 0.10338037413849688 2023 0.4381358713488677 2024 0.77125041023958 2025 1.0 2026 0.289793239251723 2027 0.0

Keywords

analysis 1.0 target 0.9354401805869075 docking 0.4091798344620015 potential 0.4 visualization 0.2690744920993228 binding 0.14853273137697517 between 0.1381489841986456 novel 0.08577878103837472 protein 0.07705041384499624 activity 0.0708803611738149 interaction 0.06440933032355155 promising 0.055079006772009026 stability 0.049360421369450715 including 0.04409330323551543 silico 0.0398796087283672 energy 0.03175319789315274 therapeutic 0.017005267118133934 drug 0.01655379984951091 compound 0.016403310759969904 mechanism 0.011136192626034613 vitro 0.010985703536493604 treatment 0.005116629044394282 experimental 0.003310759969902182 cell 0.0 effective 0.0
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