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Application

Discovery Studio 1.0 Materials Studio 0.9475165895837523 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.058436630407285604 Amorphous Cell 0.2704275233999494 Blends 0.0022767518340500886 CASTEP 0.317227422210979 CDOCKER 0.1775866430559069 CHARMm 0.28332911712623327 COMPASS 0.3311409056412851 COMPASS III 0.10776625347837086 COSMObase 0.004806476094105743 COSMOconf 0.005565393372122439 COSMOmic 0.0 COSMOperm 5.059448520111307E-4 COSMOplex 2.5297242600556537E-4 COSMOquick 7.589172780166962E-4 COSMOtherm 0.06425499620541361 Catalyst 0.07816847963571971 Classical Simulations 1.0 Conformers 5.059448520111307E-4 Crystallization 0.07209714141158614 DFTB Plus 0.0035416139640779155 DMol3 0.14495320010118898 DPD 0.0027826966860612194 Discover 0.003794586390083481 Forcite 0.5102453832532254 GULP 0.017202124968378446 Kinetix 2.5297242600556537E-4 LUDI 0.004047558816089046 LibDock 0.0723501138375917 LigandFit 0.004047558816089046 MODELER 0.26132051606374906 MesoDyn 0.0 Mesocite 0.0032886415380723503 Mesoscale 0.0058183657981280045 Modules 0.0 Morphology 0.016696180116367317 ONETEP 0.0010118897040222615 Polymorph 0.0022767518340500886 QMERA 2.5297242600556537E-4 QSAR 2.5297242600556537E-4 Quantum Mechanics 0.45408550467998987 Reflex 0.051859347331140906 Reflex Plus 7.589172780166962E-4 Semi-empirical 0.004806476094105743 Sorption 0.056918795851252216 Synthia 0.0012648621300278269 TURBOMOLE 0.0 VAMP 5.059448520111307E-4 Visualization 0.7184416898558057 X-Cell 0.0012648621300278269 ZDOCK 0.029850746268656716

Year

2024 0.34008179959100204 2025 1.0 2026 0.7973415132924335 2027 0.0

Keywords

target 1.0 potential 0.3165154716043246 docking 0.23437305828258978 analysis 0.22356157574251273 visualization 0.17012551261339628 between 0.13893376413570274 novel 0.0928296259475581 promising 0.09034422766248291 binding 0.07704734683733068 energy 0.06623586429725363 cell 0.05666708089971418 activity 0.050205045358518705 stability 0.04187896110351684 performance 0.03293152727724618 including 0.021374425251646578 synthesized 0.01640362868149621 effective 0.01615508885298869 development 0.015409469367466136 strong 0.013669690567913508 enhanced 0.009941593140300733 mechanism 0.008450354169255624 experimental 0.006959115198210513 interaction 0.004970796570150367 protein 0.0011184292282838326 strategy 0.0
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