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Application

Discovery Studio 1.0 Materials Studio 0.8126344390354353 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05948327658722211 Amorphous Cell 0.1373923492890046 Antibody 8.011215701982776E-4 Blends 0.004406168636090527 CASTEP 0.5884237933106349 CDOCKER 0.2801922691768476 CHARMm 0.4201882635689966 COMPASS 0.24594432205087122 COMPASS III 0.022831964750650913 COSMObase 0.0014019627478469858 COSMOconf 0.0028039254956939716 COSMOmic 6.008411776487082E-4 COSMOperm 8.011215701982776E-4 COSMOquick 0.002002803925495694 COSMOtherm 0.09373122371319847 Cantera 0.0 Catalyst 0.3030242339274985 Classical Simulations 1.0 Conformers 0.0032044862807931104 Crystallization 0.06589224914880833 DFTB Plus 0.005808131383937512 DMol3 0.33747246144602444 DPD 0.006008411776487082 Discover 0.021830562787903064 Forcite 0.30022030843180453 GULP 0.09833767274183858 Kinetix 4.005607850991388E-4 LUDI 0.021029441217704788 LibDock 0.10514720608852393 LigandFit 0.05227318245543761 MCSS 0.00340476667334268 MODELER 0.37131984778690164 MesoDyn 0.0028039254956939716 Mesocite 0.003004205888243541 Mesoscale 0.010614860805127179 Morphology 0.014820749048668135 ONETEP 0.006208692169036651 Polymorph 0.004205888243540957 QMERA 2.002803925495694E-4 QSAR 0.0022030843180452634 Quantum Mechanics 0.9140797115962347 Reflex 0.04466252753855397 Reflex Plus 0.0032044862807931104 Reflex QPA 2.002803925495694E-4 Semi-empirical 0.010214300020028039 Sorption 0.04025635890246345 Synthia 4.005607850991388E-4 TURBOMOLE 0.0018025235329461246 VAMP 0.0038053274584418186 Visualization 0.8950530743040256 X-Cell 0.0016022431403965552 ZDOCK 0.034047666733426796

Year

2001 0.004712939160239932 2002 0.007712082262210797 2003 0.013710368466152529 2004 0.015852613538988862 2005 0.01713796058269066 2006 0.03513281919451585 2007 0.037275064267352186 2008 0.06426735218508997 2009 0.07240788346186804 2010 0.09897172236503857 2011 0.12039417309340189 2012 0.14010282776349614 2013 0.1919451585261354 2014 0.23607540702656385 2015 0.2750642673521851 2016 0.31191088260497 2017 0.3517566409597258 2018 0.39288774635818335 2019 0.42930591259640105 2020 0.5364181662382177 2021 0.5261353898886033 2022 0.6846615252784919 2023 0.797343616109683 2024 1.0 2025 0.8718937446443873 2026 0.22707797772065125 2027 0.0

Keywords

potential 1.0 target 0.9550464230846303 docking 0.2291764077215951 analysis 0.15069133658406253 visualization 0.1370649923184824 novel 0.12196914033798678 between 0.11675906753055908 binding 0.08736891323224902 energy 0.08068933270990582 activity 0.0716718990047425 promising 0.038875158640037405 protein 0.032395965533364504 interaction 0.029256562687863204 well 0.028321421414735155 experimental 0.02711909692071338 drug 0.02511522276401042 compound 0.02063990381404048 chemical 0.019437579320018702 development 0.01803486741032663 synthesized 0.014227506512591009 inhibition 0.008215884042482132 vitro 0.007614721795471244 treatment 0.0019370783514795272 including 0.0016698951305857991 cell 0.0
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