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Application

Discovery Studio 0.962736089841756 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06453694740238787 Amorphous Cell 0.2794449822523395 Blends 0.002097450790577606 CASTEP 0.35721200387221685 CDOCKER 0.16311713455953533 CHARMm 0.2649241690868022 COMPASS 0.345918038076799 COMPASS III 0.09486931268151017 COSMObase 0.004356243949661181 COSMOconf 0.0050016134236850595 COSMOmic 0.0 COSMOperm 6.453694740238787E-4 COSMOplex 1.6134236850596966E-4 COSMOquick 0.0016134236850596966 COSMOtherm 0.06389157792836399 Cantera 0.0 Catalyst 0.09390125847047434 Classical Simulations 1.0 Conformers 8.067118425298483E-4 Crystallization 0.0717973539851565 DFTB Plus 0.004356243949661181 DMol3 0.16085834140045177 DPD 0.002420135527589545 Discover 0.003872216844143272 Forcite 0.5306550500161342 GULP 0.01936108422071636 Kinetix 1.6134236850596966E-4 LUDI 0.0037108744756373024 LibDock 0.06776379477250725 LigandFit 0.004033559212649242 MCSS 6.453694740238787E-4 MODELER 0.22829945143594707 MesoDyn 6.453694740238787E-4 Mesocite 0.0035495321071313327 Mesoscale 0.006131010003226848 Modules 0.0 Morphology 0.015811552113585026 ONETEP 0.0011293965795417876 Polymorph 0.0017747660535656663 QMERA 1.6134236850596966E-4 QSAR 8.067118425298483E-4 Quantum Mechanics 0.5077444336882866 Reflex 0.05292029686995805 Reflex Plus 8.067118425298483E-4 Semi-empirical 0.005808325266214908 Sorption 0.05501774766053566 Synthia 9.68054211035818E-4 TURBOMOLE 3.2268473701193933E-4 VAMP 9.68054211035818E-4 Visualization 0.734107776702162 X-Cell 0.0017747660535656663 ZDOCK 0.026782833171990966

Year

2023 0.1134866376631448 2024 0.4241143567433188 2025 1.0 2026 0.5239279055313859 2027 0.0

Keywords

target 1.0 potential 0.2966598189150118 docking 0.21616069390550102 analysis 0.2075629612721601 visualization 0.1743133226812752 between 0.14905272768774253 novel 0.09465114509624896 energy 0.07943391919653048 promising 0.07296659818915012 binding 0.06847751654873317 cell 0.059195008749904895 activity 0.04329300768469908 stability 0.03956478733926805 performance 0.03553222247584265 including 0.020086738187628395 synthesized 0.019401963022141065 experimental 0.01765198204367344 interaction 0.01582591493570722 effective 0.014760709122726926 development 0.012097694590276193 mechanism 0.011565091683786046 protein 0.005326029064901468 enhanced 0.003728220345431028 strong 0.0 synthesis 0.0
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