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Application

Discovery Studio 1.0 Materials Studio 0.0875 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.011922503725782414 Amorphous Cell 0.05514157973174367 CASTEP 0.028315946348733235 CDOCKER 0.28763040238450077 CHARMm 0.45678092399403875 COMPASS 0.07302533532041729 COMPASS III 0.01639344262295082 COSMOconf 7.451564828614009E-4 COSMOtherm 0.005961251862891207 Catalyst 0.12518628912071536 Classical Simulations 0.5961251862891207 Crystallization 0.013412816691505217 DFTB Plus 7.451564828614009E-4 DMol3 0.013412816691505217 DPD 0.0014903129657228018 Discover 0.0014903129657228018 Forcite 0.10879284649776454 GULP 0.0 LUDI 0.0037257824143070045 LibDock 0.11773472429210134 LigandFit 0.005961251862891207 MODELER 0.4172876304023845 Mesoscale 0.0014903129657228018 Morphology 0.0022354694485842027 Polymorph 0.0 QSAR 0.0 Quantum Mechanics 0.040983606557377046 Reflex 0.00894187779433681 Reflex Plus 7.451564828614009E-4 Semi-empirical 7.451564828614009E-4 Sorption 0.009687034277198211 Visualization 1.0 X-Cell 0.0 ZDOCK 0.05067064083457526

Year

2025 0.0

Keywords

target 1.0 docking 0.5078253706754531 potential 0.4695222405271829 visualization 0.3311367380560132 analysis 0.2915980230642504 binding 0.21128500823723229 activity 0.14909390444810544 novel 0.14044481054365734 therapeutic 0.11902800658978584 promising 0.11820428336079078 protein 0.09472817133443164 silico 0.06878088962108732 vitro 0.054365733113673806 inhibition 0.05024711696869852 including 0.04654036243822076 between 0.0457166392092257 compound 0.03171334431630972 treatment 0.02512355848434926 development 0.024299835255354202 synthesis 0.022652388797364087 strong 0.01400329489291598 drug 0.008237232289950576 modeler 0.004942339373970346 interaction 0.004118616144975288 stability 0.0
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