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Application

Discovery Studio 1.0 Materials Studio 0.9558847468663519 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06655096959179053 Amorphous Cell 0.27510752282502077 Blends 0.002716366105787369 CASTEP 0.4101712819738927 CDOCKER 0.18078925526295933 CHARMm 0.2634875122613748 COMPASS 0.3704067003697276 COMPASS III 0.07319097562815967 COSMObase 0.0028672753338866673 COSMOconf 0.0033954576322342113 COSMOmic 2.263638421489474E-4 COSMOperm 0.0012827284388440352 COSMOplex 3.0181845619859656E-4 COSMOquick 0.0014336376669433337 COSMOtherm 0.06360823964385422 Cantera 7.545461404964914E-5 Catalyst 0.12434920395382178 Classical Simulations 1.0 Conformers 0.0012827284388440352 Crystallization 0.07575643250584774 DFTB Plus 0.006036369123971931 DMol3 0.18742926129932846 DPD 0.0029427299479363165 Discover 0.004904549913227194 Forcite 0.529238662944239 GULP 0.0261072964611786 Kinetix 2.263638421489474E-4 LUDI 0.00611182373802158 LibDock 0.07251188410171282 LigandFit 0.00792273447521316 MCSS 0.0014336376669433337 MODELER 0.1943710857918962 MesoDyn 0.00173545612314193 Mesocite 0.004074549158681054 Mesoscale 0.007696370633064212 Modules 0.0 Morphology 0.017731834301667547 ONETEP 9.054553685957896E-4 Polymorph 0.0019618199652908777 QMERA 2.263638421489474E-4 QSAR 0.0014336376669433337 Quantum Mechanics 0.5850750773409794 Reflex 0.05576095978269071 Reflex Plus 6.790915264468422E-4 Semi-empirical 0.008149098317362108 Sorption 0.054478231343846675 Synthia 0.0013581830528936844 TURBOMOLE 6.036369123971931E-4 VAMP 0.00173545612314193 Visualization 0.9020599109635554 X-Cell 0.001131819210744737 ZDOCK 0.030860937146306496

Year

2020 0.04806513745403607 2021 0.20302924181404308 2022 0.30204867798984414 2023 0.4557870775696025 2024 0.995534932586237 2025 1.0 2026 0.3721765014883558 2027 0.0

Keywords

target 1.0 potential 0.26083535299486954 docking 0.21812344590979194 visualization 0.21604607975827012 analysis 0.17789808315759656 between 0.14872053130213087 novel 0.09917849611280728 energy 0.07912876522614963 binding 0.0700009442573416 cell 0.055364955462528724 activity 0.05287841112964653 promising 0.040949293380756036 interaction 0.03871455100563407 synthesized 0.027477888640584182 experimental 0.026218878851783072 stability 0.023700859274180856 protein 0.019703503194737338 mechanism 0.016493028233294516 development 0.014100909634572409 effective 0.013975008655692298 synthesis 0.012023543483050582 performance 0.011708791035850303 including 0.006924553838406094 chemical 0.0010072078310408863 design 0.0
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