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Application

Discovery Studio 0.8382470119521912 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.055347091932457786 Amorphous Cell 0.29831144465290804 Blends 9.380863039399625E-4 CASTEP 0.2570356472795497 CDOCKER 0.1378986866791745 CHARMm 0.2223264540337711 COMPASS 0.3592870544090056 COMPASS III 0.124765478424015 COSMObase 0.00375234521575985 COSMOconf 0.009380863039399626 COSMOmic 0.0 COSMOperm 9.380863039399625E-4 COSMOplex 0.0 COSMOtherm 0.07317073170731707 Catalyst 0.07129455909943715 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.08348968105065666 DFTB Plus 0.0028142589118198874 DMol3 0.11350844277673545 DPD 0.0028142589118198874 Discover 0.006566604127579738 Forcite 0.5609756097560976 GULP 0.009380863039399626 Kinetix 0.0 LUDI 9.380863039399625E-4 LibDock 0.06191369606003752 LigandFit 0.0 MODELER 0.19418386491557224 Mesocite 0.00375234521575985 Mesoscale 0.005628517823639775 Morphology 0.016885553470919325 ONETEP 0.001876172607879925 Polymorph 0.001876172607879925 Quantum Mechanics 0.36866791744840527 Reflex 0.06097560975609756 Reflex Plus 0.0 Semi-empirical 0.0028142589118198874 Sorption 0.0675422138836773 Synthia 9.380863039399625E-4 TURBOMOLE 0.0 Visualization 0.6238273921200751 X-Cell 9.380863039399625E-4 ZDOCK 0.0225140712945591

Year

2025 0.7998575498575499 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.2895927601809955 analysis 0.2131724484665661 docking 0.19054801407742583 visualization 0.14881850175967823 between 0.11463046757164404 promising 0.07943690296631473 novel 0.07290095525389644 energy 0.0693815987933635 cell 0.06535947712418301 binding 0.06184012066365008 performance 0.06133735545500251 activity 0.03971845148315736 strategy 0.03519356460532931 strong 0.033685268979386625 stability 0.03117144293614882 including 0.023629964806435394 mechanism 0.013574660633484163 synthesized 0.010558069381598794 therapeutic 0.009552538964303671 effective 0.008547008547008548 enhanced 0.008547008547008548 design 0.007541478129713424 experimental 0.0015082956259426848 development 0.0
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