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Application

Discovery Studio 0.9178876678876678 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.11702127659574468 Amorphous Cell 0.14478463933575506 Antibody 0.0 Blends 0.002854177477944992 CASTEP 0.6022314478463934 CDOCKER 0.2584327970939284 CHARMm 0.3020238713025428 COMPASS 0.3378308251167618 COMPASS III 0.026984950700570835 COSMObase 0.0 COSMOconf 2.594706798131811E-4 COSMOmic 2.594706798131811E-4 COSMOperm 2.594706798131811E-4 COSMOquick 5.189413596263622E-4 COSMOtherm 0.03554748313440581 Catalyst 0.30072651790347693 Classical Simulations 1.0 Conformers 0.0018162947586922678 Crystallization 0.1730669434353918 DFTB Plus 0.006486766995329528 DMol3 0.29060716139076287 DPD 0.00700570835495589 Discover 0.02568759730150493 Equilibria 0.0 Forcite 0.4268292682926829 GULP 0.030877010897768554 LUDI 0.008822003113648157 LibDock 0.06408925791385574 LigandFit 0.028801245459263103 MCSS 0.0036325895173845357 MODELER 0.15334717176959003 MesoDyn 0.0031136481577581734 Mesocite 0.0036325895173845357 Mesoscale 0.012454592631032694 Morphology 0.020498183705241306 ONETEP 2.594706798131811E-4 Polymorph 0.005448884276076803 QMERA 7.784120394395433E-4 QSAR 0.002594706798131811 Quantum Mechanics 0.8772703684483654 Reflex 0.14037363777893097 Reflex Plus 0.009859885832900882 Semi-empirical 0.014530358069538143 Sorption 0.04878048780487805 Synthia 0.002594706798131811 TURBOMOLE 2.594706798131811E-4 VAMP 0.006746237675142709 Visualization 0.9281266216917489 X-Cell 0.004929942916450441 ZDOCK 0.006746237675142709

Year

2001 0.0011235955056179776 2002 0.0022471910112359553 2003 0.0 2004 0.0033707865168539327 2005 0.0022471910112359553 2006 0.009550561797752809 2007 0.008426966292134831 2008 0.014606741573033709 2009 0.024157303370786518 2010 0.0348314606741573 2011 0.06910112359550562 2012 0.09101123595505618 2013 0.12471910112359551 2014 0.19662921348314608 2015 0.27808988764044945 2016 0.26741573033707866 2017 0.33146067415730335 2018 0.3949438202247191 2019 0.49157303370786515 2020 0.5404494382022472 2021 0.6157303370786517 2022 0.702808988764045 2023 0.8488764044943821 2024 1.0 2025 0.9174157303370787 2026 0.298314606741573 2027 0.0

Keywords

synthesized 1.0 target 0.9673825141522149 synthesis 0.3108095965495552 novel 0.22275137029382694 docking 0.22095426363554677 potential 0.1746787671848324 visualization 0.15571929193997663 compound 0.14924970797016804 activity 0.09857130020666727 analysis 0.09569592955341899 between 0.08715967292658819 designed 0.06325815437146194 design 0.056429149069997304 binding 0.047174049779854434 promising 0.04600593045197232 experimental 0.04456824512534819 potent 0.03702039716057148 inhibition 0.033426183844011144 vitro 0.02650732320963249 energy 0.015185551262467428 well 0.010513073950938989 cell 0.008176835295174769 chemical 0.0025159493215922363 active 0.0021565279899362026 x-ray 0.0
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