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Application

Discovery Studio 0.8811062289997416 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06049028971665075 Amorphous Cell 0.2868513212352754 Blends 0.002228589621139764 CASTEP 0.31805157593123207 CDOCKER 0.15472779369627507 CHARMm 0.24737344794651384 COMPASS 0.35148042024832854 COMPASS III 0.11206622094874244 COSMObase 0.005093919134033747 COSMOconf 0.0057306590257879654 COSMOmic 0.0 COSMOperm 6.367398917542184E-4 COSMOplex 3.183699458771092E-4 COSMOquick 9.551098376313276E-4 COSMOtherm 0.06494746895893028 Catalyst 0.06685768863419293 Classical Simulations 1.0 Conformers 3.183699458771092E-4 Crystallization 0.07513530722699777 DFTB Plus 0.0038204393505253103 DMol3 0.15027061445399553 DPD 0.0025469595670168737 Discover 0.005412289079910856 Forcite 0.539318688315823 GULP 0.017510347023241005 Kinetix 0.0 LUDI 0.0035020694046482012 LibDock 0.06462909901305317 LigandFit 0.0028653295128939827 MODELER 0.23368354027379815 MesoDyn 6.367398917542184E-4 Mesocite 0.0038204393505253103 Mesoscale 0.0066857688634192934 Morphology 0.01623686723973257 ONETEP 6.367398917542184E-4 Polymorph 0.0028653295128939827 QMERA 3.183699458771092E-4 QSAR 3.183699458771092E-4 Quantum Mechanics 0.45972620184654567 Reflex 0.05475963069086278 Reflex Plus 6.367398917542184E-4 Semi-empirical 0.005093919134033747 Sorption 0.058898439987265204 Synthia 9.551098376313276E-4 TURBOMOLE 0.0 VAMP 3.183699458771092E-4 Visualization 0.6370582617000955 X-Cell 0.0012734797835084368 ZDOCK 0.025469595670168738

Year

2024 0.07425614489003882 2025 1.0 2026 0.9676584734799483 2027 0.0

Keywords

target 1.0 potential 0.3156287120312235 analysis 0.22518241982012557 docking 0.2065162056677414 visualization 0.15289326319361954 between 0.14305107754963517 promising 0.096894620736467 novel 0.09061598506702868 energy 0.08484642796538265 binding 0.0709316137790599 cell 0.06770744951637536 performance 0.05260478533853725 stability 0.050568471067368066 activity 0.040726285423383676 strong 0.03241133548277617 including 0.029017478364160867 enhanced 0.022229764126930257 effective 0.01764805701679959 development 0.01340573561853046 strategy 0.013236042762599695 synthesized 0.01052095706770745 mechanism 0.010181571355845919 experimental 0.009333107076192093 design 0.004412014254199898 interaction 0.0
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