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Application

Discovery Studio 1.0 Materials Studio 0.7970380343318748 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05692307692307692 Amorphous Cell 0.1646153846153846 Blends 0.0035897435897435897 CASTEP 0.46153846153846156 CDOCKER 0.21076923076923076 CHARMm 0.24974358974358973 COMPASS 0.2876923076923077 COMPASS III 0.002564102564102564 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 0.0015384615384615385 COSMOplex 5.128205128205128E-4 COSMOquick 5.128205128205128E-4 COSMOtherm 0.06512820512820512 Catalyst 0.07282051282051281 Classical Simulations 0.8 Conformers 0.0015384615384615385 Crystallization 0.06256410256410257 DFTB Plus 0.004615384615384616 DMol3 0.2323076923076923 DPD 0.006153846153846154 Discover 0.01282051282051282 Forcite 0.30974358974358973 GULP 0.04923076923076923 LUDI 0.009230769230769232 LibDock 0.07128205128205128 LigandFit 0.016923076923076923 MCSS 0.004615384615384616 MODELER 0.2784615384615385 MesoDyn 0.0041025641025641026 Mesocite 0.008205128205128205 Mesoscale 0.014871794871794871 Morphology 0.019487179487179488 ONETEP 0.003076923076923077 Polymorph 0.0020512820512820513 QMERA 0.0010256410256410256 QSAR 0.0020512820512820513 Quantum Mechanics 0.676923076923077 Reflex 0.04 Reflex Plus 0.003076923076923077 Semi-empirical 0.011794871794871795 Sorption 0.028717948717948718 Synthia 5.128205128205128E-4 TURBOMOLE 0.0 VAMP 0.005128205128205128 Visualization 1.0 ZDOCK 0.03435897435897436

Year

2021 0.0

Keywords

target 1.0 visualization 0.25230958735372616 docking 0.21371381646479162 potential 0.18661465818107165 between 0.14986655717511804 analysis 0.13097926503797988 novel 0.08991993430507082 binding 0.07082734551426811 activity 0.06405255594333813 interaction 0.04188051734756724 experimental 0.04167522069390269 energy 0.041469924040238144 well 0.03572161773763088 protein 0.03469513446930815 synthesized 0.024840895093409976 cell 0.0217614452884418 drug 0.01560254567850544 synthesis 0.014986655717511805 chemical 0.014576062410182713 compound 0.0108807226442209 mechanism 0.0108807226442209 promising 0.006774789570929994 development 0.003079449804968179 design 0.001642373229316362 inhibition 0.0
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