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Application

Discovery Studio 1.0 Materials Studio 0.4539041595718803 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.055978504254366325 Amorphous Cell 0.13255709807433946 Blends 4.478280340349306E-4 CASTEP 0.31795790416480074 CDOCKER 0.23107926556202418 CHARMm 0.3922973578145992 COMPASS 0.19525302283922974 COMPASS III 0.052395879982086876 COSMObase 0.0035826242722794446 COSMOconf 0.0044782803403493054 COSMOperm 0.0 COSMOquick 4.478280340349306E-4 COSMOtherm 0.06045678459471563 Catalyst 0.13121361397223466 Classical Simulations 0.8101209135691895 Conformers 4.478280340349306E-4 Crystallization 0.03761755485893417 DFTB Plus 0.0017913121361397223 DMol3 0.12807881773399016 DPD 4.478280340349306E-4 Discover 0.003134796238244514 Forcite 0.27899686520376177 GULP 0.014778325123152709 Kinetix 4.478280340349306E-4 LUDI 0.0049261083743842365 LibDock 0.10479175996417375 LigandFit 0.005373936408419167 MCSS 0.0 MODELER 0.3430362740707568 Mesocite 4.478280340349306E-4 Mesoscale 0.0013434841021047917 Morphology 0.00806090461262875 ONETEP 0.0 Polymorph 0.0013434841021047917 QMERA 0.0 QSAR 4.478280340349306E-4 Quantum Mechanics 0.43842364532019706 Reflex 0.027765338110165697 Semi-empirical 0.0026869682042095834 Sorption 0.03403493058665472 TURBOMOLE 4.478280340349306E-4 VAMP 0.0 Visualization 1.0 X-Cell 0.0013434841021047917 ZDOCK 0.033139274518584866

Year

2023 0.023303233323623652 2024 0.5924847072531314 2025 1.0 2026 0.24555782114768424 2027 0.0

Keywords

potential 1.0 target 0.9413221566012574 docking 0.3690226709849495 analysis 0.2855782053724519 visualization 0.20994475138121546 promising 0.13012002286149743 binding 0.12745284816155458 novel 0.11583158696894646 between 0.08268241569822823 therapeutic 0.07830062869117928 activity 0.06877500476281197 protein 0.040579157934844734 including 0.03657839588493046 stability 0.03657839588493046 silico 0.027624309392265192 vitro 0.027624309392265192 strong 0.016193560678224424 development 0.014859973328253 treatment 0.010668698799771385 effective 0.006477424271289769 drug 0.0060963993141550776 compound 0.004381787007048962 inhibition 0.0040007620499142695 energy 1.9051247856734617E-4 interaction 0.0
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