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Application

Discovery Studio 1.0 Materials Studio 0.9650812763395545 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06506106608834608 Amorphous Cell 0.2758817486588289 Blends 0.0025111288665677434 CASTEP 0.37678347220636915 CDOCKER 0.16893048738728456 CHARMm 0.26834836205912566 COMPASS 0.3496176235589545 COMPASS III 0.08868850587832439 COSMObase 0.0039949777422668645 COSMOconf 0.004679831069512612 COSMOmic 1.141422212076247E-4 COSMOperm 0.0013697066544914964 COSMOplex 2.282844424152494E-4 COSMOquick 0.0014838488756991211 COSMOtherm 0.0628923638854012 Cantera 0.0 Catalyst 0.12156146558612031 Classical Simulations 1.0 Conformers 6.848533272457482E-4 Crystallization 0.07008332382148157 DFTB Plus 0.00559296883917361 DMol3 0.1677890651752083 DPD 0.0025111288665677434 Discover 0.003424266636228741 Forcite 0.5296199064033786 GULP 0.022143590914279192 Kinetix 2.282844424152494E-4 LUDI 0.0042232621846821135 LibDock 0.07156717269718069 LigandFit 0.005136399954343111 MCSS 5.707111060381235E-4 MODELER 0.20716813149183883 MesoDyn 9.131377696609977E-4 Mesocite 0.0031959821938134917 Mesoscale 0.006163679945211734 Modules 0.0 Morphology 0.016436479853897956 ONETEP 0.001141422212076247 Polymorph 0.0020545599817372445 QMERA 1.141422212076247E-4 QSAR 9.131377696609977E-4 Quantum Mechanics 0.5336148841456455 Reflex 0.05079328843739299 Reflex Plus 0.0010272799908686223 Semi-empirical 0.007076817714872731 Sorption 0.05661454171898185 Synthia 0.0012555644332838717 TURBOMOLE 5.707111060381235E-4 VAMP 0.001141422212076247 Visualization 0.8339230681429061 X-Cell 0.0014838488756991211 ZDOCK 0.028763839744321423

Year

2022 5.392773683264426E-4 2023 0.3194319611720295 2024 0.5009886751752651 2025 1.0 2026 0.3819881358978968 2027 0.0

Keywords

target 1.0 potential 0.2946765193786759 docking 0.23329814507615745 visualization 0.20942039913537425 analysis 0.2036394711707636 between 0.15653747549389233 novel 0.10717337756999949 energy 0.08701553310209621 binding 0.08063137787161313 promising 0.0694716734529734 cell 0.06529935153068919 activity 0.059267078871965015 stability 0.04137133665108329 interaction 0.03740009048408988 synthesized 0.03282561705122405 performance 0.031971045091238125 experimental 0.028603026190117127 development 0.025134469411350727 protein 0.024129090634896697 effective 0.023777208063137788 including 0.02282209822550646 mechanism 0.02186698838787513 synthesis 0.015281757402101241 design 0.00623334841401498 enhanced 0.0
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