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Application

Discovery Studio 1.0 Materials Studio 0.8260350318471338 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06423413150893197 Amorphous Cell 0.12048650703154694 Blends 0.002280501710376283 CASTEP 0.5119726339794755 CDOCKER 0.2614975294564804 CHARMm 0.40858988977575067 COMPASS 0.2554161915621437 COMPASS III 0.02242493348536678 COSMObase 7.601672367920942E-4 COSMOconf 7.601672367920942E-4 COSMOmic 0.0015203344735841885 COSMOperm 0.002280501710376283 COSMOplex 0.0 COSMOquick 0.002280501710376283 COSMOtherm 0.047510452299505894 Catalyst 0.3352337514253136 Classical Simulations 0.943747624477385 Conformers 0.0034207525655644243 Crystallization 0.11858608893956671 DFTB Plus 0.006461421512732801 DMol3 0.5153933865450399 DPD 0.004561003420752566 Discover 0.015203344735841885 Forcite 0.3272519954389966 GULP 0.03686811098441657 LUDI 0.017863930064614217 LibDock 0.11098441657164576 LigandFit 0.039148612694792854 MCSS 0.0026605853287723297 MODELER 0.3481565944507792 MesoDyn 0.0026605853287723297 Mesocite 0.003040668947168377 Mesoscale 0.009882174078297225 Morphology 0.016343595591030026 ONETEP 0.0015203344735841885 Polymorph 0.0026605853287723297 QMERA 0.002280501710376283 QSAR 0.002280501710376283 Quantum Mechanics 1.0 Reflex 0.09426073736221968 Reflex Plus 0.006081337894336754 Semi-empirical 0.013683010262257697 Sorption 0.030026605853287723 Synthia 3.800836183960471E-4 TURBOMOLE 3.800836183960471E-4 VAMP 0.004180919802356519 Visualization 1.0 X-Cell 0.0015203344735841885 ZDOCK 0.02090459901178259

Year

2001 0.0030935808197989174 2002 0.005413766434648105 2003 0.0069605568445475635 2004 0.010054137664346482 2005 0.017014694508894045 2006 0.02088167053364269 2007 0.02320185614849188 2008 0.04640371229698376 2009 0.04331013147718484 2010 0.08275328692962104 2011 0.10131477184841454 2012 0.1368909512761021 2013 0.15622583139984533 2014 0.1794276875483372 2015 0.242846094354215 2016 0.23897911832946636 2017 0.25754060324825984 2018 0.40216550657385924 2019 0.4508894044856922 2020 0.5003866976024749 2021 0.6782675947409126 2022 0.6991492652745553 2023 0.8677494199535963 2024 1.0 2025 0.7989172467130704 2026 0.3325599381283836 2027 0.0

Keywords

active 1.0 target 0.9546515914956372 docking 0.23546761705788374 potential 0.20609561263364876 activity 0.17168489615337348 visualization 0.14882634877719061 analysis 0.12879439596903036 between 0.12768833722502151 novel 0.1000368686248003 binding 0.07066486420056532 synthesized 0.059972963008479784 synthesis 0.044979722256359836 compound 0.04313629101634509 energy 0.038712056040309695 catalyst 0.03662283396829298 promising 0.019417475728155338 well 0.018434312400147475 mechanism 0.01708246282413666 interaction 0.015484822416123879 inhibition 0.013149809512105199 chemical 0.012781123264102249 design 0.008479783704067838 protein 0.006513457048052108 experimental 0.0025808037360206463 vitro 0.0
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