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Application

Discovery Studio 1.0 Materials Studio 0.899179450588655 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06543108744624207 Amorphous Cell 0.2728855211959861 Blends 0.0023551095637927505 CASTEP 0.38746672127790294 CDOCKER 0.18533688306369037 CHARMm 0.28087241449928324 COMPASS 0.35418799918083144 COMPASS III 0.07669465492525088 COSMObase 0.0032766741757116525 COSMOconf 0.002969485971738685 COSMOmic 2.0479213598197828E-4 COSMOperm 0.0011263567479008806 COSMOplex 2.0479213598197828E-4 COSMOquick 0.0015359410198648373 COSMOtherm 0.05887773909481876 Cantera 0.0 Catalyst 0.12871185746467337 Classical Simulations 1.0 Conformers 8.191685439279131E-4 Crystallization 0.07208683186565636 DFTB Plus 0.005426991603522425 DMol3 0.17898832684824903 DPD 0.002662297767765718 Discover 0.003788654515666598 Forcite 0.519148064714315 GULP 0.02396067990989146 Kinetix 1.0239606799098914E-4 LUDI 0.004710219127585501 LibDock 0.07679705099324186 LigandFit 0.006450952283432316 MCSS 8.191685439279131E-4 MODELER 0.2093999590415728 MesoDyn 0.0011263567479008806 Mesocite 0.0036862584476756092 Mesoscale 0.006655744419414295 Modules 0.0 Morphology 0.017407331558468155 ONETEP 0.0010239606799098914 Polymorph 0.0018431292238378046 QMERA 2.0479213598197828E-4 QSAR 0.001331148883882859 Quantum Mechanics 0.5547818963751792 Reflex 0.05252918287937743 Reflex Plus 9.215646119189023E-4 Semi-empirical 0.0071677247593692405 Sorption 0.05222199467540446 Synthia 0.0012287528158918697 TURBOMOLE 5.119803399549457E-4 VAMP 0.001331148883882859 Visualization 0.9025189432725783 X-Cell 0.001331148883882859 ZDOCK 0.03153798894122466

Year

2021 0.0 2022 0.09008470353761834 2023 0.2719481813652217 2024 0.751270553064275 2025 1.0 2026 0.24484304932735426

Keywords

target 1.0 potential 0.28237618658992314 docking 0.23723207765989435 visualization 0.22026545251492632 analysis 0.19324771272711652 between 0.15063785919848804 novel 0.10639577337743224 binding 0.07929212662686311 energy 0.07821828959237147 activity 0.06163824577982045 cell 0.05858854860186418 promising 0.05669859542115888 interaction 0.04050513294102487 stability 0.03178557622095271 synthesized 0.03062583222370173 experimental 0.026373437567114813 protein 0.02624457712297582 development 0.022163996391907564 mechanism 0.021090159357415917 effective 0.019200206176710623 synthesis 0.017911601735320647 performance 0.016236415961513682 including 0.016064602035995017 design 0.0015463253296679697 chemical 0.0
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