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Application

Discovery Studio 1.0 Materials Studio 0.8718052738336713 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06242350061199511 Amorphous Cell 0.17380660954712362 Blends 0.004283965728274173 CASTEP 0.5097919216646267 CDOCKER 0.21113831089351284 CHARMm 0.2484700122399021 COMPASS 0.3047735618115055 COMPASS III 0.0012239902080783353 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 6.119951040391676E-4 COSMOplex 6.119951040391676E-4 COSMOquick 6.119951040391676E-4 COSMOtherm 0.06915544675642595 Catalyst 0.06915544675642595 Classical Simulations 0.835985312117503 Conformers 0.0012239902080783353 Crystallization 0.06181150550795594 DFTB Plus 0.0055079559363525096 DMol3 0.25703794369645044 DPD 0.0073439412484700125 Discover 0.014687882496940025 Forcite 0.32802937576499386 GULP 0.05752753977968176 LUDI 0.009179926560587515 LibDock 0.06731946144430845 LigandFit 0.015299877600979192 MCSS 0.0030599755201958386 MODELER 0.2729498164014688 MesoDyn 0.004895960832313341 Mesocite 0.009791921664626682 Mesoscale 0.017747858017135864 Morphology 0.019583843329253364 ONETEP 0.0030599755201958386 Polymorph 0.0024479804161566705 QMERA 0.0012239902080783353 QSAR 0.0024479804161566705 Quantum Mechanics 0.7466340269277846 Reflex 0.038555691554467565 Reflex Plus 0.0030599755201958386 Semi-empirical 0.012851897184822521 Sorption 0.02876376988984088 Synthia 6.119951040391676E-4 TURBOMOLE 0.0 VAMP 0.004895960832313341 Visualization 1.0 ZDOCK 0.03182374541003672

Year

2021 0.0

Keywords

target 1.0 visualization 0.24127358490566037 docking 0.2018867924528302 potential 0.18820754716981133 between 0.1535377358490566 analysis 0.13561320754716982 novel 0.08396226415094339 binding 0.06650943396226415 activity 0.06179245283018868 experimental 0.05188679245283019 energy 0.05047169811320755 interaction 0.04575471698113207 well 0.03891509433962264 protein 0.027830188679245284 synthesized 0.026650943396226416 cell 0.02311320754716981 chemical 0.01981132075471698 mechanism 0.013207547169811321 synthesis 0.012735849056603774 compound 0.0125 drug 0.01179245283018868 promising 0.006839622641509434 design 0.0023584905660377358 surface 0.0018867924528301887 inhibition 0.0
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