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Application

Discovery Studio 1.0 Materials Studio 0.711603709567971 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05826397146254459 Amorphous Cell 0.24336107808164884 Blends 0.0019817677368212444 CASTEP 0.4244946492271106 CDOCKER 0.2140309155766944 CHARMm 0.3468093539437178 COMPASS 0.35988902100673803 COMPASS III 0.042409829567974636 COSMObase 0.0011890606420927466 COSMOconf 7.927070947284979E-4 COSMOperm 7.927070947284979E-4 COSMOplex 0.0 COSMOquick 7.927070947284979E-4 COSMOtherm 0.056282203725723345 Cantera 0.0 Catalyst 0.13912009512485138 Classical Simulations 1.0 Conformers 3.9635354736424893E-4 Crystallization 0.07253269916765755 DFTB Plus 0.008719778042013475 DMol3 0.19302417756638923 DPD 0.003963535473642489 Discover 0.004359889021006738 Forcite 0.4530321046373365 GULP 0.030915576694411414 LUDI 0.003963535473642489 LibDock 0.09433214427269124 LigandFit 0.005945303210463734 MCSS 0.0011890606420927466 MODELER 0.3325406262386048 MesoDyn 0.0027744748315497426 Mesocite 0.0047562425683709865 Mesoscale 0.009512485136741973 Morphology 0.016250495441934205 ONETEP 0.0 Polymorph 0.0019817677368212444 QMERA 0.0 QSAR 0.0019817677368212444 Quantum Mechanics 0.6048355132778438 Reflex 0.0543004359889021 Semi-empirical 0.011494252873563218 Sorption 0.038446294094332145 Synthia 0.0023781212841854932 TURBOMOLE 3.9635354736424893E-4 VAMP 0.0019817677368212444 Visualization 0.9869203329369798 X-Cell 3.9635354736424893E-4 ZDOCK 0.038446294094332145

Year

2024 0.0

Keywords

target 1.0 potential 0.3000902527075812 docking 0.2656438026474128 analysis 0.2056257521058965 visualization 0.20472322503008425 between 0.1477135980746089 novel 0.10333935018050541 binding 0.08694344163658244 activity 0.06783995186522263 promising 0.0440734055354994 energy 0.04332129963898917 interaction 0.0404632972322503 protein 0.03790613718411552 cell 0.02918170878459687 synthesized 0.0194043321299639 stability 0.017448856799037304 synthesis 0.01444043321299639 mechanism 0.011432009626955475 effective 0.011131167268351384 experimental 0.009777376654632972 development 0.008874849578820699 vitro 0.004663056558363418 including 0.00421179302045728 silico 0.003309265944645006 compound 0.0
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