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Application
Discovery Studio
1.0
Materials Studio
0.2466996699669967
Solvation Chemistry
0.0
Modules
Adsorption Locator
0.11900826446280992
Amorphous Cell
0.06115702479338843
CASTEP
0.01818181818181818
CDOCKER
0.3685950413223141
CHARMm
0.5851239669421487
COMPASS
0.30082644628099175
COMPASS III
0.006611570247933884
COSMOperm
0.0
COSMOtherm
0.011570247933884297
Catalyst
0.5305785123966942
Classical Simulations
1.0
Conformers
0.001652892561983471
Crystallization
0.013223140495867768
DFTB Plus
0.0
DMol3
0.09752066115702479
Discover
0.01818181818181818
Forcite
0.23801652892561984
GULP
0.001652892561983471
LUDI
0.02975206611570248
LibDock
0.09752066115702479
LigandFit
0.1371900826446281
MCSS
0.003305785123966942
MODELER
0.45454545454545453
Morphology
0.001652892561983471
ONETEP
0.001652892561983471
QSAR
0.0
Quantum Mechanics
0.11900826446280992
Reflex
0.008264462809917356
Reflex Plus
0.0
Semi-empirical
0.01652892561983471
Sorption
0.006611570247933884
VAMP
0.01487603305785124
Visualization
0.6793388429752066
X-Cell
0.001652892561983471
ZDOCK
0.03140495867768595
Year
2002
0.0
2003
0.0
2004
0.004219409282700422
2005
0.008438818565400843
2006
0.029535864978902954
2007
0.016877637130801686
2008
0.10548523206751055
2009
0.12658227848101267
2010
0.21940928270042195
2011
0.046413502109704644
2012
0.03375527426160337
2013
0.5189873417721519
2014
0.7426160337552743
2015
1.0
2016
0.42616033755274263
2017
0.2109704641350211
2018
0.06751054852320675
2019
0.4978902953586498
2020
0.350210970464135
2021
0.6160337552742616
2022
0.4430379746835443
2023
0.4219409282700422
2024
0.16033755274261605
2025
0.3037974683544304
2026
0.02531645569620253
Keywords
inhibition
1.0
target
0.9618745035742653
docking
0.3177124702144559
potential
0.20810166799046861
activity
0.19142176330420968
novel
0.16123907863383638
inhibitor
0.14853057982525814
binding
0.12708498808578236
visualization
0.10881652104845115
analysis
0.09293089753772836
compound
0.08737092930897537
potent
0.07863383637807785
vitro
0.06910246227164417
synthesized
0.05798252581413821
inhibitory
0.056393963463065924
between
0.05242255758538523
catalyst
0.04209690230341541
enzyme
0.04209690230341541
synthesis
0.03653693407466243
medicinal
0.02938840349483717
drug
0.015091342335186657
human
0.014297061159650517
protein
0.014297061159650517
chemical
0.0
interaction
0.0
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