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Application

Discovery Studio 1.0 Materials Studio 0.12330593201510776 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.016595744680851062 Amorphous Cell 0.04680851063829787 Blends 4.25531914893617E-4 CASTEP 0.06425531914893617 CDOCKER 0.23106382978723405 CHARMm 0.3740425531914894 COMPASS 0.07361702127659575 COMPASS III 0.00723404255319149 COSMOperm 4.25531914893617E-4 COSMOtherm 0.008936170212765958 Catalyst 0.14765957446808511 Classical Simulations 0.512340425531915 Crystallization 0.015319148936170212 DFTB Plus 0.001276595744680851 DMol3 0.02553191489361702 DPD 8.51063829787234E-4 Forcite 0.09361702127659574 GULP 0.005531914893617021 LUDI 0.003829787234042553 LibDock 0.09702127659574468 LigandFit 0.006808510638297872 MCSS 0.001276595744680851 MODELER 0.35319148936170214 MesoDyn 4.25531914893617E-4 Mesocite 4.25531914893617E-4 Mesoscale 0.002127659574468085 Morphology 0.003829787234042553 ONETEP 0.0 Quantum Mechanics 0.08936170212765958 Reflex 0.011063829787234043 Semi-empirical 0.002127659574468085 Sorption 0.008936170212765958 TURBOMOLE 0.0 VAMP 4.25531914893617E-4 Visualization 1.0 ZDOCK 0.03914893617021276

Year

2024 0.0

Keywords

target 1.0 docking 0.4910498306724722 potential 0.40638606676342526 visualization 0.3671988388969521 analysis 0.2602805999032414 binding 0.18795355587808418 activity 0.13909046927914853 novel 0.137155297532656 protein 0.12530237058538946 between 0.0887760038703435 vitro 0.07377842283502661 silico 0.06531204644412192 promising 0.05660377358490566 drug 0.04958877600387034 compound 0.04475084663763909 synthesis 0.043299467827769715 interaction 0.038461538461538464 therapeutic 0.03749395258829221 treatment 0.033865505563618774 inhibition 0.02999516207063377 synthesized 0.02177068214804064 development 0.01282051282051282 including 0.0050798258345428155 potent 0.0012094823415578133 effective 0.0
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