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Application

Discovery Studio 1.0 Materials Studio 0.9865489020338708 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06542553191489361 Amorphous Cell 0.2765957446808511 Blends 0.002340425531914894 CASTEP 0.38265957446808513 CDOCKER 0.16691489361702128 CHARMm 0.2631914893617021 COMPASS 0.35606382978723405 COMPASS III 0.08531914893617021 COSMObase 0.003723404255319149 COSMOconf 0.004468085106382979 COSMOmic 1.0638297872340425E-4 COSMOperm 0.0013829787234042553 COSMOplex 2.127659574468085E-4 COSMOquick 0.0014893617021276596 COSMOtherm 0.06297872340425532 Cantera 0.0 Catalyst 0.12329787234042554 Classical Simulations 1.0 Conformers 6.382978723404255E-4 Crystallization 0.0726595744680851 DFTB Plus 0.00574468085106383 DMol3 0.1701063829787234 DPD 0.0024468085106382977 Discover 0.003297872340425532 Forcite 0.5312765957446809 GULP 0.023297872340425532 Kinetix 2.127659574468085E-4 LUDI 0.00425531914893617 LibDock 0.07053191489361701 LigandFit 0.005319148936170213 MCSS 5.319148936170213E-4 MODELER 0.19617021276595745 MesoDyn 9.574468085106382E-4 Mesocite 0.0031914893617021275 Mesoscale 0.006170212765957447 Modules 0.0 Morphology 0.017553191489361703 ONETEP 0.0010638297872340426 Polymorph 0.0019148936170212765 QMERA 1.0638297872340425E-4 QSAR 0.0010638297872340426 Quantum Mechanics 0.5421276595744681 Reflex 0.0524468085106383 Reflex Plus 9.574468085106382E-4 Semi-empirical 0.0073404255319148935 Sorption 0.05585106382978723 Synthia 0.0013829787234042553 TURBOMOLE 5.319148936170213E-4 VAMP 0.001276595744680851 Visualization 0.8336170212765958 X-Cell 0.0013829787234042553 ZDOCK 0.02851063829787234

Year

2022 0.03032714412024757 2023 0.3510167992926614 2024 0.5683465959328028 2025 1.0 2026 0.3758620689655172 2027 0.0

Keywords

target 1.0 potential 0.28848218871095754 docking 0.2278817871982819 visualization 0.20780615341519212 analysis 0.19795508660535038 between 0.15336850459872076 novel 0.10439329567206686 energy 0.0870255380736729 binding 0.07694103366170223 promising 0.06452215322844204 cell 0.06372846538120361 activity 0.05644521219478033 stability 0.03870395443298007 interaction 0.0361361408095616 synthesized 0.0314207012465568 performance 0.030767075960595733 experimental 0.028712825061860965 development 0.02255007236565666 effective 0.022083197161398758 protein 0.021943134600121386 mechanism 0.021056071712031374 including 0.0199822587422382 synthesis 0.014519818852420747 design 0.003781689154489005 chemical 0.0
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