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Application

Discovery Studio 1.0 Materials Studio 0.44298245614035087 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.051969823973176864 Amorphous Cell 0.12279966471081308 Blends 4.1911148365465214E-4 CASTEP 0.3046940486169321 CDOCKER 0.2242246437552389 CHARMm 0.3801341156747695 COMPASS 0.18566638725901088 COMPASS III 0.0490360435875943 COSMObase 0.003352891869237217 COSMOconf 0.004191114836546521 COSMOperm 4.1911148365465214E-4 COSMOquick 0.0 COSMOtherm 0.054484492875104776 Catalyst 0.1303436714165968 Classical Simulations 0.7803855825649623 Conformers 0.0 Crystallization 0.03604358759430008 DFTB Plus 0.0020955574182732607 DMol3 0.12279966471081308 DPD 4.1911148365465214E-4 Discover 0.002514668901927913 Forcite 0.269907795473596 GULP 0.012992455993294216 Kinetix 8.382229673093043E-4 LUDI 0.005029337803855826 LibDock 0.0997485331098072 LigandFit 0.005029337803855826 MCSS 4.1911148365465214E-4 MODELER 0.3336127409891031 Mesocite 4.1911148365465214E-4 Mesoscale 0.0012573344509639564 Morphology 0.0075440067057837385 ONETEP 4.1911148365465214E-4 Polymorph 0.0016764459346186086 QMERA 0.0 QSAR 8.382229673093043E-4 Quantum Mechanics 0.4191114836546521 Reflex 0.026404023470243086 Semi-empirical 0.003352891869237217 Sorption 0.03227158424140821 TURBOMOLE 4.1911148365465214E-4 VAMP 4.1911148365465214E-4 Visualization 1.0 X-Cell 0.0012573344509639564 ZDOCK 0.03352891869237217

Year

2023 0.03975799481417459 2024 0.6318063958513397 2025 1.0 2026 0.2431575914721982 2027 0.0

Keywords

potential 1.0 target 0.9417989417989417 docking 0.3752964787447546 analysis 0.28388980113118045 visualization 0.224229155263638 binding 0.137018792191206 promising 0.12862616310892172 novel 0.1196861886517059 between 0.09140667761357417 therapeutic 0.08082466703156359 activity 0.07772304324028462 protein 0.05090311986863711 including 0.04178069695311075 stability 0.03904397007845284 silico 0.033023170954205434 vitro 0.031016237912789638 development 0.018427294289363256 strong 0.016967706622879036 treatment 0.015143222039773764 drug 0.012406495165115855 inhibition 0.010217113665389528 effective 0.008575077540594781 compound 0.0080277321656632 interaction 0.0014595876664842181 energy 0.0
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