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Application

Discovery Studio 1.0 Materials Studio 0.45692037176588796 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06135244066278549 Amorphous Cell 0.15136587550380654 Blends 4.478280340349306E-4 CASTEP 0.31840573219883567 CDOCKER 0.1930138826690551 CHARMm 0.3510971786833856 COMPASS 0.19077474249888043 COMPASS III 0.04478280340349306 COSMObase 0.0026869682042095834 COSMOconf 0.0026869682042095834 COSMOmic 0.0 COSMOperm 4.478280340349306E-4 COSMOquick 0.0 COSMOtherm 0.048813255709807435 Catalyst 0.12225705329153605 Classical Simulations 0.7510076130765786 Conformers 4.478280340349306E-4 Crystallization 0.025974025974025976 DFTB Plus 0.0035826242722794446 DMol3 0.11688311688311688 DPD 4.478280340349306E-4 Discover 0.0013434841021047917 Forcite 0.27854903716972684 GULP 0.01522615315718764 LUDI 0.005373936408419167 LibDock 0.09449171518137035 LigandFit 0.0017913121361397223 MCSS 0.0 MODELER 0.335423197492163 Mesocite 0.0022391401701746527 Mesoscale 0.0026869682042095834 Modules 0.0 Morphology 0.006717420510523959 Polymorph 8.956560680698612E-4 QMERA 0.0 QSAR 8.956560680698612E-4 Quantum Mechanics 0.4263322884012539 Reflex 0.0161218092252575 Reflex Plus 4.478280340349306E-4 Semi-empirical 0.004030452306314375 Sorption 0.025974025974025976 Visualization 1.0 X-Cell 0.0017913121361397223 ZDOCK 0.03045230631437528

Year

2023 0.20382395382395382 2024 0.6922799422799423 2025 1.0 2026 0.3185425685425685 2027 0.0

Keywords

analysis 1.0 target 0.9270428015564203 docking 0.4178988326848249 potential 0.41575875486381325 visualization 0.2443579766536965 binding 0.15214007782101166 between 0.13443579766536964 novel 0.08132295719844358 promising 0.07120622568093385 activity 0.07003891050583658 protein 0.06945525291828794 stability 0.06264591439688716 including 0.05252918287937743 interaction 0.05155642023346303 silico 0.037937743190661476 therapeutic 0.03385214007782101 energy 0.029182879377431907 strong 0.013035019455252919 treatment 0.013035019455252919 vitro 0.0122568093385214 drug 0.011478599221789884 mechanism 0.010116731517509728 compound 0.008754863813229572 inhibition 0.0013618677042801556 effective 0.0
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