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Application

Discovery Studio 1.0 Materials Studio 0.9601403061224489 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0551272166538165 Amorphous Cell 0.27216653816499614 Blends 0.0019275250578257518 CASTEP 0.2864302235929067 CDOCKER 0.17386276021588282 CHARMm 0.2756360832690825 COMPASS 0.3361603700848111 COMPASS III 0.11218195836545874 COSMObase 0.004240555127216654 COSMOconf 0.006168080185042405 COSMOmic 0.0 COSMOperm 3.8550501156515033E-4 COSMOplex 3.8550501156515033E-4 COSMOquick 3.8550501156515033E-4 COSMOtherm 0.060524286815728606 Catalyst 0.07247494217424827 Classical Simulations 1.0 Conformers 3.8550501156515033E-4 Crystallization 0.07517347725520432 DFTB Plus 0.003469545104086353 DMol3 0.13531225905936778 DPD 0.0019275250578257518 Discover 0.0038550501156515036 Forcite 0.520431765612953 GULP 0.014263685427910563 Kinetix 0.0 LUDI 0.0030840400925212026 LibDock 0.06939090208172706 LigandFit 0.0038550501156515036 MODELER 0.2555898226676947 Mesocite 0.003469545104086353 Mesoscale 0.0050115651503469544 Morphology 0.016576715497301466 ONETEP 7.710100231303007E-4 Polymorph 0.0026985350809560524 QMERA 3.8550501156515033E-4 Quantum Mechanics 0.4155744024672321 Reflex 0.0543562066306862 Reflex Plus 7.710100231303007E-4 Semi-empirical 0.0050115651503469544 Sorption 0.06168080185042406 Synthia 7.710100231303007E-4 TURBOMOLE 0.0 VAMP 3.8550501156515033E-4 Visualization 0.686969930609098 X-Cell 0.0015420200462606013 ZDOCK 0.029298380878951428

Year

2024 0.06143344709897611 2025 1.0 2026 0.990071362085014 2027 0.0

Keywords

target 1.0 potential 0.32667473769168687 docking 0.23527037933817596 analysis 0.23204196933010493 visualization 0.17130750605326878 between 0.13518966908797417 promising 0.09806295399515738 novel 0.09100080710250202 binding 0.08434221146085553 energy 0.06941081517352704 cell 0.06073446327683616 activity 0.05084745762711865 stability 0.042776432606941084 performance 0.0377320419693301 including 0.03228410008071025 strong 0.031476997578692496 development 0.01533494753833737 enhanced 0.01513317191283293 mechanism 0.01513317191283293 effective 0.014527845036319613 strategy 0.011097659402744148 synthesized 0.010895883777239709 therapeutic 0.005851493139628733 experimental 0.00221953188054883 interaction 0.0
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