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Application

Discovery Studio 0.9880810488676997 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08977556109725686 Amorphous Cell 0.2626766417290108 Blends 0.0016625103906899418 CASTEP 0.485453034081463 CDOCKER 0.14713216957605985 CHARMm 0.2743142144638404 COMPASS 0.33832086450540316 COMPASS III 0.09060681629260182 COSMObase 8.312551953449709E-4 COSMOconf 0.004987531172069825 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.06483790523690773 Catalyst 0.1113881961762261 Classical Simulations 1.0 Crystallization 0.07481296758104738 DFTB Plus 0.0033250207813798837 DMol3 0.2028262676641729 DPD 0.0 Discover 0.0024937655860349127 Forcite 0.5220282626766417 GULP 0.019118869492934332 LUDI 0.0033250207813798837 LibDock 0.049044056525353284 LigandFit 0.0 MODELER 0.19617622610141314 Mesocite 0.0033250207813798837 Mesoscale 0.0033250207813798837 Morphology 0.019118869492934332 ONETEP 8.312551953449709E-4 Polymorph 0.0 QMERA 0.0 QSAR 0.0016625103906899418 Quantum Mechanics 0.6791354945968412 Reflex 0.05486284289276808 Reflex Plus 0.0 Semi-empirical 0.005818786367414797 Sorption 0.057356608478802994 Synthia 0.0 VAMP 8.312551953449709E-4 Visualization 0.8861180382377389 X-Cell 0.0 ZDOCK 0.017456359102244388

Year

2022 0.08646616541353383 2023 0.2174185463659148 2024 0.556390977443609 2025 1.0 2026 0.37781954887218044 2027 0.0

Keywords

strong 1.0 target 0.929068611203182 potential 0.38813390785548557 docking 0.2658269804441498 analysis 0.25654623798475307 between 0.22406363937686444 visualization 0.1687106397083195 binding 0.16506463374212793 promising 0.11037454424925422 novel 0.10109380178985747 stability 0.08286377195889957 energy 0.08120649651972157 interaction 0.0755717600265164 activity 0.047398077560490554 effective 0.044746436857805764 including 0.039774610540271794 synthesized 0.029830957905203844 cell 0.026184951939012265 performance 0.02154458070931389 experimental 0.016572754391779913 development 0.013921113689095127 synthesis 0.003977461054027179 stable 0.001325820351342393 inhibition 9.943652635067948E-4 compound 0.0
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