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Application

Discovery Studio 1.0 Materials Studio 0.6203118415507796 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08530510585305105 Amorphous Cell 0.30199252801992527 Blends 0.0037359900373599006 CASTEP 0.14383561643835616 CDOCKER 0.1718555417185554 CHARMm 0.3300124533001245 COMPASS 0.3605230386052304 COMPASS III 0.07098381070983811 COSMObase 0.0018679950186799503 COSMOconf 0.0037359900373599006 COSMOmic 0.0 COSMOperm 6.226650062266501E-4 COSMOquick 0.0012453300124533001 COSMOtherm 0.049813200498132 Catalyst 0.10149439601494396 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.04234122042341221 DFTB Plus 0.008717310087173101 DMol3 0.13636363636363635 DPD 0.0024906600249066002 Discover 0.00311332503113325 Forcite 0.5049813200498132 GULP 0.010585305105853052 LUDI 0.0043586550435865505 LibDock 0.07409713574097136 LigandFit 0.0012453300124533001 MODELER 0.24533001245330013 MesoDyn 6.226650062266501E-4 Mesocite 0.0062266500622665 Mesoscale 0.00809464508094645 Morphology 0.0161892901618929 ONETEP 0.0018679950186799503 Polymorph 0.0012453300124533001 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.26650062266500624 Reflex 0.024906600249066 Reflex Plus 0.0 Semi-empirical 0.0112079701120797 Sorption 0.05417185554171856 Synthia 0.0012453300124533001 TURBOMOLE 0.0 VAMP 0.0012453300124533001 Visualization 0.839975093399751 X-Cell 0.0 ZDOCK 0.051681195516811954

Year

2022 6.079027355623101E-4 2023 0.4291793313069909 2024 0.8127659574468085 2025 1.0 2026 0.24376899696048632 2027 0.0

Keywords

interaction 1.0 target 0.9449409051599885 between 0.4194292303257423 docking 0.3421735370423753 potential 0.31738253098875757 analysis 0.27731334678581726 visualization 0.21216488901700778 binding 0.20755260882098586 energy 0.10637071202075526 mechanism 0.09426347650619775 protein 0.08907466128567311 cell 0.0628423176707985 novel 0.05592389737676564 stability 0.054194292303257424 activity 0.04295185932545402 experimental 0.029691553761891035 including 0.027097146151628712 promising 0.019313923320841742 strong 0.018737388296339003 drug 0.017872585759584895 complex 0.017007783222830787 development 0.014125108100317094 effective 0.013260305563562986 silico 5.765350245027386E-4 therapeutic 0.0
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