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Application

Discovery Studio 1.0 Materials Studio 0.5668556185395132 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.062030905077262694 Amorphous Cell 0.1487858719646799 Antibody 4.415011037527594E-4 Blends 0.0033112582781456954 CASTEP 0.38631346578366443 CDOCKER 0.3827814569536424 CHARMm 0.47726269315673286 COMPASS 0.26269315673289184 COMPASS III 0.031346578366445915 COSMObase 0.0011037527593818985 COSMOconf 2.207505518763797E-4 COSMOperm 2.207505518763797E-4 COSMOplex 0.0 COSMOquick 0.001986754966887417 COSMOtherm 0.05275938189845475 Catalyst 0.3816777041942605 Classical Simulations 1.0 Conformers 8.830022075055188E-4 Crystallization 0.07196467991169977 DFTB Plus 0.003532008830022075 DMol3 0.21501103752759382 DPD 0.005739514348785872 Discover 0.0141280353200883 Forcite 0.343046357615894 GULP 0.020088300220750553 LUDI 0.026710816777041943 LibDock 0.12891832229580574 LigandFit 0.052980132450331126 MCSS 0.005518763796909493 MODELER 0.37218543046357616 MesoDyn 0.0030905077262693157 Mesocite 0.005518763796909493 Mesoscale 0.011920529801324504 Morphology 0.011479028697571744 ONETEP 0.0024282560706401766 Polymorph 0.003532008830022075 QMERA 2.207505518763797E-4 QSAR 0.001986754966887417 Quantum Mechanics 0.5924944812362031 Reflex 0.05673289183222958 Reflex Plus 0.0017660044150110375 Reflex QPA 0.0 Semi-empirical 0.005739514348785872 Sorption 0.024503311258278145 Synthia 6.622516556291391E-4 TURBOMOLE 4.415011037527594E-4 VAMP 0.0015452538631346578 Visualization 0.9271523178807947 X-Cell 0.002869757174392936 ZDOCK 0.038852097130242826

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 0.17377182298010557 2017 0.24725943970767356 2018 0.29963459196102316 2019 0.33495736906211937 2020 0.3934226552984166 2021 0.4709703613479497 2022 0.6272838002436053 2023 0.758830694275274 2024 1.0 2025 0.9220462850182704 2026 0.2298010556232237 2027 4.060089321965083E-4

Keywords

novel 1.0 target 0.9646325096707982 potential 0.2688087155601168 docking 0.26051946001421017 visualization 0.16333780689981842 synthesized 0.13728586089839742 analysis 0.13302281518907397 activity 0.10973395436962186 synthesis 0.10823399384226731 binding 0.08873450698665825 between 0.08383989895002764 compound 0.08297150074998026 design 0.07515591694955395 development 0.0660772084945133 promising 0.06560353674903292 drug 0.03331491276545354 protein 0.03299913160179995 potent 0.031657061656272203 inhibition 0.024157259019499486 cell 0.02036788505565643 vitro 0.01981526801926265 effective 0.004105155127496644 energy 0.002052577563748322 designed 0.0011841793637009553 well 0.0
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