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Application

Discovery Studio 0.928743961352657 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.036656891495601175 Amorphous Cell 0.2859237536656892 Blends 7.331378299120235E-4 CASTEP 0.32991202346041054 CDOCKER 0.17521994134897362 CHARMm 0.29105571847507333 COMPASS 0.33724340175953077 COMPASS III 0.09017595307917889 COSMObase 0.008797653958944282 COSMOconf 0.0036656891495601175 COSMOperm 7.331378299120235E-4 COSMOplex 7.331378299120235E-4 COSMOquick 0.001466275659824047 COSMOtherm 0.09310850439882698 Catalyst 0.21700879765395895 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.09457478005865103 DFTB Plus 0.005865102639296188 DMol3 0.20234604105571846 DPD 0.001466275659824047 Discover 0.002932551319648094 Forcite 0.5168621700879765 GULP 0.024193548387096774 Kinetix 0.0 LUDI 0.007331378299120235 LibDock 0.07111436950146628 LigandFit 0.005131964809384164 MCSS 0.001466275659824047 MODELER 0.1598240469208211 MesoDyn 0.0021994134897360706 Mesocite 0.0021994134897360706 Mesoscale 0.007331378299120235 Morphology 0.026392961876832845 ONETEP 0.0 Polymorph 7.331378299120235E-4 QMERA 0.001466275659824047 QSAR 0.0036656891495601175 Quantum Mechanics 0.5205278592375366 Reflex 0.06598240469208211 Reflex Plus 7.331378299120235E-4 Semi-empirical 0.010263929618768328 Sorption 0.053519061583577714 Synthia 0.002932551319648094 VAMP 0.001466275659824047 Visualization 0.6217008797653959 ZDOCK 0.022727272727272728

Year

2021 0.03566009104704097 2022 0.20030349013657056 2023 0.2541729893778452 2024 0.6911987860394537 2025 1.0 2026 0.5273141122913505 2027 0.0

Keywords

design 1.0 target 0.9400981996726677 potential 0.22945990180032733 novel 0.19869067103109656 synthesis 0.1829787234042553 docking 0.17217675941080196 between 0.12831423895253682 synthesized 0.12144026186579378 analysis 0.11423895253682488 visualization 0.10801963993453355 promising 0.1044189852700491 development 0.09099836333878887 performance 0.08150572831423895 activity 0.07921440261865793 energy 0.07725040916530278 cell 0.0739770867430442 designed 0.05597381342062193 compound 0.05499181669394435 binding 0.04582651391162029 effective 0.028477905073649754 stability 0.027495908346972176 strategy 0.02225859247135843 experimental 0.0032733224222585926 efficient 0.002618657937806874 potent 0.0
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