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Application

Discovery Studio 0.8029540114132259 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.057107127969987494 Amorphous Cell 0.28595248020008335 Blends 0.0020842017507294707 CASTEP 0.3172155064610254 CDOCKER 0.14506044185077116 CHARMm 0.2330137557315548 COMPASS 0.3568153397248854 COMPASS III 0.11838265944143393 COSMObase 0.005418924551896623 COSMOconf 0.007503126302626094 COSMOmic 0.0 COSMOperm 4.1684035014589413E-4 COSMOplex 4.1684035014589413E-4 COSMOquick 4.1684035014589413E-4 COSMOtherm 0.06669445602334306 Catalyst 0.06419341392246769 Classical Simulations 1.0 Conformers 4.1684035014589413E-4 Crystallization 0.07711546477699041 DFTB Plus 0.0029178824510212586 DMol3 0.14464360150062527 DPD 0.0012505210504376823 Discover 0.004168403501458941 Forcite 0.5477282200917049 GULP 0.015839933305543976 Kinetix 0.0 LUDI 0.0016673614005835765 LibDock 0.05877448937057107 LigandFit 0.0029178824510212586 MODELER 0.2121717382242601 Mesocite 0.004168403501458941 Mesoscale 0.005002084201750729 Morphology 0.016673614005835766 ONETEP 8.336807002917883E-4 Polymorph 0.003334722801167153 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.4551896623593164 Reflex 0.055856606919549814 Reflex Plus 4.1684035014589413E-4 Semi-empirical 0.003751563151313047 Sorption 0.06502709462275948 Synthia 8.336807002917883E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.5898290954564401 X-Cell 0.0012505210504376823 ZDOCK 0.025844101709045435

Year

2024 0.011324315822585718 2025 0.8269896193771626 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.30594769729229343 analysis 0.22055079842629022 docking 0.19000231427910205 between 0.14140245313584818 visualization 0.13746817866234667 promising 0.10067114093959731 energy 0.09141402453135848 novel 0.08632261050682713 cell 0.07104836843323305 performance 0.06364267530664199 binding 0.05762554964128674 stability 0.04697986577181208 strong 0.04073131219625087 activity 0.032168479518629944 including 0.029159916685952327 enhanced 0.028697060865540386 strategy 0.02499421430224485 effective 0.020134228187919462 experimental 0.015737097894006017 development 0.012728535061328396 mechanism 0.009257116408238834 design 0.009025688498032862 synthesized 0.006248553575561213 therapeutic 0.0
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