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Application

Discovery Studio 0.8039506172839506 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.03771213073538655 Amorphous Cell 0.2853551225644249 Blends 6.285355122564425E-4 CASTEP 0.35260842237586426 CDOCKER 0.15776241357636706 CHARMm 0.2740414833438089 COMPASS 0.35575109993714643 COMPASS III 0.08170961659333752 COSMObase 0.00754242614707731 COSMOconf 0.0031426775612822125 COSMOperm 6.285355122564425E-4 COSMOplex 6.285355122564425E-4 COSMOquick 0.00251414204902577 COSMOtherm 0.09050911376492772 Catalyst 0.2118164676304211 Classical Simulations 1.0 Conformers 6.285355122564425E-4 Crystallization 0.09742300439974859 DFTB Plus 0.0069138906348208675 DMol3 0.21055939660590822 DPD 0.0018856065367693275 Discover 0.003771213073538655 Forcite 0.5267127592708988 GULP 0.026398491514770583 Kinetix 0.0 LUDI 0.009428032683846637 LibDock 0.0678818353236958 LigandFit 0.0043997485857950975 MCSS 0.0018856065367693275 MODELER 0.12947831552482716 MesoDyn 0.0018856065367693275 Mesocite 0.0043997485857950975 Mesoscale 0.008170961659333752 Morphology 0.02765556253928347 ONETEP 0.0 Polymorph 6.285355122564425E-4 QMERA 0.001257071024512885 QSAR 0.0043997485857950975 Quantum Mechanics 0.5505971087366436 Reflex 0.0678818353236958 Reflex Plus 6.285355122564425E-4 Semi-empirical 0.010685103708359522 Sorption 0.05091137649277184 Synthia 0.00251414204902577 TURBOMOLE 0.0 VAMP 0.001257071024512885 Visualization 0.5763670647391578 ZDOCK 0.02451288497800126

Year

2022 0.12051455653351388 2023 0.3777928232904536 2024 0.7955314827352742 2025 1.0 2026 0.4712254570074475 2027 0.0

Keywords

design 1.0 target 0.9398280802292264 potential 0.22320916905444127 novel 0.19111747851002867 synthesis 0.1693409742120344 docking 0.15214899713467048 between 0.13753581661891118 analysis 0.1148997134670487 synthesized 0.10945558739255014 promising 0.09627507163323783 performance 0.09369627507163324 visualization 0.09283667621776505 energy 0.08825214899713467 development 0.08595988538681948 cell 0.07020057306590258 activity 0.06275071633237822 designed 0.05100286532951289 compound 0.046418338108882524 stability 0.03667621776504298 binding 0.034097421203438394 effective 0.03008595988538682 strategy 0.017191977077363897 efficient 0.00830945558739255 experimental 0.0054441260744985676 including 0.0
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