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Application

Discovery Studio 1.0 Materials Studio 0.9687702265372168 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06912047934945431 Amorphous Cell 0.2788358656109566 Blends 0.002353948213139311 CASTEP 0.38005563877594695 CDOCKER 0.16627434196447677 CHARMm 0.2732719880162636 COMPASS 0.34988230258934305 COMPASS III 0.07939225337042585 COSMObase 0.003209929381553606 COSMOconf 0.003851915257864327 COSMOperm 0.0010699764605178687 COSMOquick 0.001497967044725016 COSMOtherm 0.059918681789000644 Cantera 0.0 Catalyst 0.12475925529638347 Classical Simulations 1.0 Conformers 6.419858763107211E-4 Crystallization 0.07061844639417933 DFTB Plus 0.0036379199657607534 DMol3 0.1645623796276482 DPD 0.0025679435052428845 Discover 0.004279905842071475 Forcite 0.5251444468221699 GULP 0.0211855339182538 LUDI 0.0055638775946929165 LibDock 0.06954846993366146 LigandFit 0.005349882302589343 MCSS 0.0010699764605178687 MODELER 0.19773164990370212 MesoDyn 0.0010699764605178687 Mesocite 0.003851915257864327 Mesoscale 0.006847849347314359 Morphology 0.01669163278407875 ONETEP 8.559811684142949E-4 Polymorph 0.0012839717526214422 QMERA 0.0 QSAR 0.0010699764605178687 Quantum Mechanics 0.53413224909052 Reflex 0.052000855981168416 Reflex Plus 4.2799058420714745E-4 Semi-empirical 0.0055638775946929165 Sorption 0.05135887010485769 Synthia 2.1399529210357372E-4 TURBOMOLE 6.419858763107211E-4 VAMP 0.001497967044725016 Visualization 0.8296597474855553 X-Cell 0.0017119623368285898 ZDOCK 0.02888936443398245

Year

2022 0.0321892228347857 2023 0.3567490663346968 2024 0.5534412235461498 2025 1.0 2026 0.3763115774497599 2027 0.0

Keywords

target 1.0 potential 0.28727031634779315 docking 0.2302519416556166 visualization 0.20486834627770412 analysis 0.19577571509755637 between 0.14993369956431143 novel 0.10162909641977648 energy 0.07937109301003978 binding 0.07719265012312938 cell 0.05948096230346656 promising 0.05862852813032771 activity 0.0539874976321273 stability 0.036844099261223714 interaction 0.033623792384921386 synthesized 0.025194165561659404 experimental 0.02491002083727979 performance 0.024436446296647093 protein 0.022636863042242848 mechanism 0.01809054745216897 effective 0.017806402727789356 including 0.017238113279030118 development 0.016480394014017807 synthesis 0.009850350445160068 design 0.0035991665088084867 chemical 0.0
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