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Application

Discovery Studio 0.9840600093764651 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05002689618074233 Amorphous Cell 0.2781065088757396 Blends 0.002151694459386767 CASTEP 0.26412049488972567 CDOCKER 0.16675632060247444 CHARMm 0.26412049488972567 COMPASS 0.34050564819795587 COMPASS III 0.12049488972565896 COSMObase 0.0032275416890801506 COSMOconf 0.007530930607853685 COSMOmic 0.0 COSMOperm 5.379236148466917E-4 COSMOplex 5.379236148466917E-4 COSMOtherm 0.062399139322216246 Catalyst 0.07369553523399677 Classical Simulations 1.0 Conformers 5.379236148466917E-4 Crystallization 0.07638515330823023 DFTB Plus 0.0037654653039268424 DMol3 0.12748789671866595 DPD 0.0016137708445400753 Discover 0.0037654653039268424 Forcite 0.5293168370091447 GULP 0.011296395911780527 Kinetix 0.0 LUDI 0.0010758472296933835 LibDock 0.06670252824098978 LigandFit 0.0037654653039268424 MODELER 0.23722431414739106 Mesocite 0.0037654653039268424 Mesoscale 0.004841312533620226 Morphology 0.01775147928994083 ONETEP 0.0010758472296933835 Polymorph 0.0026896180742334587 QMERA 0.0 Quantum Mechanics 0.38676707907477137 Reflex 0.05433028509951587 Reflex Plus 0.0 Semi-empirical 0.004303388918773534 Sorption 0.064550833781603 Synthia 0.0010758472296933835 TURBOMOLE 0.0 Visualization 0.6412049488972565 X-Cell 0.0016137708445400753 ZDOCK 0.028509951586874662

Year

2024 0.0 2025 0.9335016835016835 2026 1.0 2027 0.004208754208754209

Keywords

target 1.0 potential 0.3109651627641348 docking 0.21958880639634495 analysis 0.21444888635065676 visualization 0.15219874357509994 between 0.1342090234151913 promising 0.08909194745859508 novel 0.08595088520845232 energy 0.06881781838949172 binding 0.06710451170759565 cell 0.061393489434608796 activity 0.04283266704740148 performance 0.0422615648201028 stability 0.03769274700171331 strong 0.032267275842375785 including 0.03026841804683038 strategy 0.021701884637350087 development 0.01656196459166191 therapeutic 0.015419760137064534 mechanism 0.014277555682467162 enhanced 0.010850942318675044 effective 0.009994288977727013 synthesized 0.008566533409480296 design 2.8555111364934324E-4 experimental 0.0
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