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Application

Discovery Studio 1.0 Materials Studio 0.15031280869278893 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.015057573073516387 Amorphous Cell 0.024505462060820785 Antibody 2.952465308532625E-4 Blends 2.952465308532625E-4 CASTEP 0.07883082373782108 CDOCKER 0.25686448184233834 CHARMm 0.3147328018895778 COMPASS 0.04399173309713611 COMPASS III 0.010628875110717449 COSMObase 8.857395925597874E-4 COSMOconf 0.00118098612341305 COSMOperm 0.0 COSMOtherm 0.017124298789489224 Catalyst 0.16888101564806612 Classical Simulations 0.41334514319456744 Conformers 2.952465308532625E-4 Crystallization 0.017419545320342487 DFTB Plus 2.952465308532625E-4 DMol3 0.09477413640389726 DPD 0.0 Discover 5.90493061706525E-4 Forcite 0.0676114555653971 GULP 0.003247711839385887 LUDI 0.004133451431945674 LibDock 0.09772660171242988 LigandFit 0.012695600826690287 MCSS 0.00118098612341305 MODELER 0.25302627694124596 MesoDyn 2.952465308532625E-4 Mesocite 2.952465308532625E-4 Mesoscale 8.857395925597874E-4 Morphology 0.0014762326542663124 Polymorph 0.0 QMERA 5.90493061706525E-4 QSAR 5.90493061706525E-4 Quantum Mechanics 0.16976675524062593 Reflex 0.01564806613522291 Semi-empirical 0.0014762326542663124 Sorption 0.0047239444936522 VAMP 0.0 Visualization 1.0 ZDOCK 0.03188662533215235

Year

2019 0.0 2020 0.1342090234151913 2021 0.26384922901199315 2022 0.509994288977727 2023 0.7115933752141633 2024 1.0 2025 0.7892632781267847 2026 0.04511707595659623

Keywords

activity 1.0 target 0.9704549269766661 docking 0.47053886184320964 visualization 0.3669632365284539 potential 0.3558838341447037 analysis 0.2084942084942085 novel 0.16669464495551453 binding 0.15930837669968104 vitro 0.12355212355212356 compound 0.101225449051536 inhibition 0.09199261373174417 synthesis 0.09182474399865705 synthesized 0.0874601309383918 protein 0.08678865200604331 silico 0.07453416149068323 promising 0.066140674836327 between 0.05136813832466006 potent 0.040288735940909856 active 0.03760282021151586 treatment 0.03676347154608024 drug 0.03055229142185664 development 0.016283364109451064 interaction 0.012422360248447204 enzyme 0.006043310391136478 effective 0.0
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