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Application

Discovery Studio 1.0 Materials Studio 0.8096422422039411 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.060751398880895285 Amorphous Cell 0.26192379429789503 Blends 0.002398081534772182 CASTEP 0.2986943778310685 CDOCKER 0.19690913935518253 CHARMm 0.31548094857447373 COMPASS 0.31201705302424726 COMPASS III 0.10391686650679456 COSMObase 0.004796163069544364 COSMOconf 0.0061284305888622435 COSMOmic 0.0 COSMOperm 5.329070077271516E-4 COSMOplex 2.664535038635758E-4 COSMOquick 0.001332267519317879 COSMOtherm 0.06528110844657607 Catalyst 0.0903277378097522 Classical Simulations 1.0 Conformers 5.329070077271516E-4 Crystallization 0.07167599253930189 DFTB Plus 0.0034638955502264853 DMol3 0.14042099653610446 DPD 0.002930988542499334 Discover 0.004263256061817213 Forcite 0.4934718891553424 GULP 0.015187849720223821 Kinetix 2.664535038635758E-4 LUDI 0.004796163069544364 LibDock 0.08126831867839063 LigandFit 0.005062616573407941 MCSS 2.664535038635758E-4 MODELER 0.28617106314948043 MesoDyn 5.329070077271516E-4 Mesocite 0.002398081534772182 Mesoscale 0.005595523581135092 Morphology 0.0165201172395417 ONETEP 0.0010658140154543032 Polymorph 0.0018651745270450307 QMERA 0.0 QSAR 5.329070077271516E-4 Quantum Mechanics 0.43218758326671997 Reflex 0.051691979749533705 Reflex Plus 5.329070077271516E-4 Semi-empirical 0.004796163069544364 Sorption 0.053557154276578735 Synthia 7.993605115907274E-4 TURBOMOLE 0.0 VAMP 7.993605115907274E-4 Visualization 0.7724487077005062 X-Cell 0.001332267519317879 ZDOCK 0.0330402344790834

Year

2024 0.40925925925925927 2025 1.0 2026 0.6895061728395062 2027 0.0

Keywords

target 1.0 potential 0.29744233843343226 docking 0.2347567937885362 analysis 0.2048412879652889 visualization 0.16567709522722082 between 0.12457182005023978 novel 0.08997488010961406 binding 0.08472253939255538 promising 0.08392327015300297 activity 0.05275176981045901 cell 0.04829869833295273 energy 0.04795615437314455 stability 0.030029687143183374 including 0.023521351906828043 synthesized 0.01564284083124001 development 0.01552865951130395 performance 0.014158483672071249 effective 0.013245033112582781 protein 0.011418131993605847 strong 0.010961406713861612 mechanism 0.009477049554692852 interaction 0.0065083352363553325 synthesis 0.004681434117378397 therapeutic 0.003539620918017812 enhanced 0.0
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