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Application

Discovery Studio 1.0 Materials Studio 0.6153662610355524 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.046635813456746174 Amorphous Cell 0.1844072623709505 Blends 0.00355998576005696 CASTEP 0.28729085083659667 CDOCKER 0.17230331078675684 CHARMm 0.26949092203631186 COMPASS 0.29441082235671057 COMPASS III 0.020647917408330368 COSMObase 3.55998576005696E-4 COSMOconf 3.55998576005696E-4 COSMOplex 0.0 COSMOquick 0.001423994304022784 COSMOtherm 0.046635813456746174 Catalyst 0.19045923816304736 Classical Simulations 0.7860448558205767 Conformers 0.002491990032039872 Crystallization 0.053755784976860094 DFTB Plus 0.004627981488074048 DMol3 0.14773940904236382 DPD 0.002491990032039872 Discover 0.007475970096119616 Forcite 0.3627625489498042 GULP 0.02385190459238163 LUDI 0.006763972944108224 LibDock 0.0704877180491278 LigandFit 0.007831968672125312 MCSS 3.55998576005696E-4 MODELER 0.07547169811320754 MesoDyn 0.001423994304022784 Mesocite 0.004271982912068352 Mesoscale 0.007475970096119616 Morphology 0.014951940192239232 ONETEP 0.001067995728017088 Polymorph 3.55998576005696E-4 QSAR 0.00177999288002848 Quantum Mechanics 0.425062299750801 Reflex 0.03844784620861517 Reflex Plus 3.55998576005696E-4 Semi-empirical 0.006051975792096832 Sorption 0.03381986472054112 Synthia 0.0 TURBOMOLE 7.11997152011392E-4 VAMP 0.001067995728017088 Visualization 1.0 X-Cell 0.0 ZDOCK 0.02847988608045568

Year

2023 0.0

Keywords

target 1.0 visualization 0.30162909330261645 docking 0.296198782293895 potential 0.23004772091492512 analysis 0.15731446437386867 between 0.12456804344248806 binding 0.09330261642257692 novel 0.09083429323679447 activity 0.06960671383906533 protein 0.0615435247655093 interaction 0.0574296527892052 energy 0.04475892710218858 cell 0.0337337502056936 synthesized 0.029619878229389503 compound 0.02451867697877242 drug 0.0218857989139378 synthesis 0.02106302451867698 silico 0.02024025012341616 vitro 0.017113707421425046 experimental 0.010696067138390653 mechanism 0.00888596346881685 development 0.007569524436399539 inhibition 0.001480993911469475 chemical 3.291097581043278E-4 promising 0.0
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