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Application

Discovery Studio 0.867005076142132 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06815326633165829 Amorphous Cell 0.28559463986599665 Blends 0.002512562814070352 CASTEP 0.3953098827470687 CDOCKER 0.15085845896147404 CHARMm 0.23785594639865998 COMPASS 0.370393634840871 COMPASS III 0.08741624790619766 COSMObase 0.003873534338358459 COSMOconf 0.004292294807370184 COSMOmic 2.0938023450586265E-4 COSMOperm 0.0014656616415410384 COSMOplex 2.0938023450586265E-4 COSMOquick 0.0016750418760469012 COSMOtherm 0.06501256281407035 Cantera 0.0 Catalyst 0.10207286432160805 Classical Simulations 1.0 Conformers 9.422110552763819E-4 Crystallization 0.07600502512562814 DFTB Plus 0.005339195979899497 DMol3 0.18100921273031825 DPD 0.0027219430485762143 Discover 0.003873534338358459 Forcite 0.5498324958123953 GULP 0.02533500837520938 Kinetix 3.14070351758794E-4 LUDI 0.003873534338358459 LibDock 0.06438442211055276 LigandFit 0.0046063651591289785 MCSS 6.28140703517588E-4 MODELER 0.18729061976549413 MesoDyn 0.00157035175879397 Mesocite 0.0037688442211055275 Mesoscale 0.007328308207705193 Modules 0.0 Morphology 0.017587939698492462 ONETEP 0.0010469011725293131 Polymorph 0.0019891122278056952 QMERA 2.0938023450586265E-4 QSAR 9.422110552763819E-4 Quantum Mechanics 0.5643844221105527 Reflex 0.0557998324958124 Reflex Plus 9.422110552763819E-4 Semi-empirical 0.00711892797319933 Sorption 0.0571608040201005 Synthia 0.0014656616415410384 TURBOMOLE 4.187604690117253E-4 VAMP 0.0013609715242881072 Visualization 0.7427763819095478 X-Cell 0.0013609715242881072 ZDOCK 0.025753768844221106

Year

2022 0.058409951325040566 2023 0.23517216513430683 2024 0.6479177934018389 2025 1.0 2026 0.38318009734991887 2027 0.0

Keywords

target 1.0 potential 0.2771532012195122 docking 0.1976467225609756 analysis 0.19012004573170732 visualization 0.1793064024390244 between 0.15906059451219512 novel 0.09889481707317073 energy 0.09717987804878049 cell 0.06616806402439024 binding 0.061118521341463415 promising 0.060737423780487805 activity 0.043588033536585365 performance 0.03991996951219512 stability 0.038538490853658534 experimental 0.032917301829268296 interaction 0.03248856707317073 synthesized 0.027248475609756097 effective 0.02029344512195122 including 0.01948361280487805 mechanism 0.019197789634146343 development 0.018483231707317072 protein 0.0078125 synthesis 0.0077172256097560975 design 0.0031916920731707315 enhanced 0.0
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