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Application

Discovery Studio 1.0 Materials Studio 0.44207780917191913 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05449591280653951 Amorphous Cell 0.14214350590372388 Blends 0.0018165304268846503 CASTEP 0.29109900090826524 CDOCKER 0.39146230699364215 CHARMm 0.47275204359673023 COMPASS 0.23796548592188918 COMPASS III 0.03633060853769301 COSMObase 9.082652134423251E-4 COSMOperm 4.5413260672116256E-4 COSMOquick 0.0018165304268846503 COSMOtherm 0.039509536784741145 Catalyst 0.33242506811989103 Classical Simulations 0.9482288828337875 Conformers 4.5413260672116256E-4 Crystallization 0.05313351498637602 DFTB Plus 0.003178928247048138 DMol3 0.14032697547683923 DPD 0.0018165304268846503 Discover 0.002270663033605813 Forcite 0.3383287920072661 GULP 0.009082652134423252 LUDI 0.013623978201634877 LibDock 0.1362397820163488 LigandFit 0.02815622161671208 MCSS 0.004087193460490463 MODELER 0.3564940962761126 MesoDyn 0.0018165304268846503 Mesocite 0.003178928247048138 Mesoscale 0.005903723887375113 Morphology 0.006811989100817439 ONETEP 0.0 Polymorph 0.0018165304268846503 QMERA 0.0 QSAR 9.082652134423251E-4 Quantum Mechanics 0.4259763851044505 Reflex 0.04405086285195277 Semi-empirical 0.004541326067211626 Sorption 0.01907356948228883 TURBOMOLE 0.0 VAMP 4.5413260672116256E-4 Visualization 1.0 X-Cell 4.5413260672116256E-4 ZDOCK 0.04405086285195277

Year

2016 0.05903834449178332 2017 0.15763846622032868 2018 0.17102860620815583 2019 0.1935483870967742 2020 0.23432744978697503 2021 0.2678027997565429 2022 0.46865489957395007 2023 0.5696895922093731 2024 0.7717589774802192 2025 1.0 2026 0.2988435788192331 2027 0.0

Keywords

novel 1.0 target 0.9635185816570064 docking 0.31776338220252304 potential 0.31316058643027617 visualization 0.20064780088646436 analysis 0.16467780429594273 synthesized 0.14694851687691785 activity 0.12188885100579612 synthesis 0.12052505966587113 binding 0.10910330719399931 compound 0.10501193317422435 promising 0.0869416979202182 development 0.08302079781793385 between 0.07654278895329014 design 0.0647800886464371 potent 0.04858506648482782 drug 0.04670985339243096 protein 0.0434708489601091 vitro 0.04125468803273099 inhibition 0.0363109444255029 cell 0.02216160927378111 effective 0.015001704739174906 treatment 0.015001704739174906 stability 0.00562563927719059 therapeutic 0.0
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