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Application

Discovery Studio 1.0 Materials Studio 0.5635583653194852 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.062443845462713386 Amorphous Cell 0.14982030548068284 Antibody 4.492362982929021E-4 Blends 0.0033692722371967657 CASTEP 0.38185085354896675 CDOCKER 0.3834231805929919 CHARMm 0.474618149146451 COMPASS 0.2646001796945193 COMPASS III 0.03189577717879605 COSMObase 0.0011230907457322552 COSMOconf 2.2461814914645105E-4 COSMOperm 2.2461814914645105E-4 COSMOplex 0.0 COSMOquick 0.0020215633423180594 COSMOtherm 0.053009883198562445 Catalyst 0.37848158131177 Classical Simulations 1.0 Conformers 8.984725965858042E-4 Crystallization 0.07187780772686433 DFTB Plus 0.0031446540880503146 DMol3 0.2138364779874214 DPD 0.005840071877807727 Discover 0.014150943396226415 Forcite 0.3454627133872417 GULP 0.019766397124887692 LUDI 0.026504941599281222 LibDock 0.1289308176100629 LigandFit 0.05278526504941599 MCSS 0.005615453728661276 MODELER 0.3721922731356694 MesoDyn 0.0031446540880503146 Mesocite 0.005615453728661276 Mesoscale 0.012129380053908356 Morphology 0.011680143755615454 ONETEP 0.0024707996406109615 Polymorph 0.0033692722371967657 QMERA 0.0 QSAR 0.0020215633423180594 Quantum Mechanics 0.5867026055705301 Reflex 0.05660377358490566 Reflex Plus 0.0017969451931716084 Reflex QPA 0.0 Semi-empirical 0.005166217430368374 Sorption 0.024707996406109614 Synthia 6.738544474393531E-4 TURBOMOLE 4.492362982929021E-4 VAMP 0.0015723270440251573 Visualization 0.9321653189577718 X-Cell 0.0029200359389038636 ZDOCK 0.03840970350404313

Year

1999 0.0 2000 0.0 2001 0.0 2002 0.00243605359317905 2003 0.00243605359317905 2004 0.0032480714575720666 2005 0.005278116118554608 2006 0.008120178643930167 2007 0.0097442143727162 2008 0.015022330491270807 2009 0.0194884287454324 2010 0.03654080389768575 2011 0.06008932196508323 2012 0.07105156313438896 2013 0.09703613479496549 2014 0.1027202598457166 2015 0.12017864393016646 2016 0.13357693869265125 2017 0.2298010556232237 2018 0.29963459196102316 2019 0.33495736906211937 2020 0.3934226552984166 2021 0.4636622005684125 2022 0.5891189606171335 2023 0.7584246853430775 2024 1.0 2025 0.9216402760860739 2026 0.2298010556232237 2027 4.060089321965083E-4

Keywords

novel 1.0 target 0.9644694533762058 potential 0.26937299035369777 docking 0.262540192926045 visualization 0.16454983922829583 synthesized 0.13609324758842445 analysis 0.13392282958199356 activity 0.10876205787781351 synthesis 0.10747588424437299 binding 0.08818327974276527 between 0.08392282958199357 compound 0.08223472668810289 design 0.0747588424437299 development 0.06623794212218649 promising 0.0659967845659164 drug 0.0340032154340836 protein 0.03271704180064309 potent 0.03022508038585209 inhibition 0.024196141479099677 cell 0.020418006430868166 vitro 0.01969453376205788 effective 0.005064308681672026 energy 9.646302250803858E-4 well 1.607717041800643E-4 designed 0.0
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