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Application

Discovery Studio 1.0 Materials Studio 0.5580295018090732 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07496592457973648 Amorphous Cell 0.2971376646978646 Blends 0.004543389368468878 CASTEP 0.15084052703316675 CDOCKER 0.19627442071785553 CHARMm 0.34756928668786913 COMPASS 0.36665152203543844 COMPASS III 0.06360745115856428 COSMObase 0.001817355747387551 COSMOconf 0.0027260336210813267 COSMOmic 0.0 COSMOperm 4.5433893684688776E-4 COSMOquick 9.086778736937755E-4 COSMOtherm 0.04225352112676056 Catalyst 0.1076783280327124 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.03452975920036347 DFTB Plus 0.009995456610631531 DMol3 0.1412994093593821 DPD 0.002271694684234439 Discover 0.00408905043162199 Forcite 0.49704679691049525 GULP 0.009995456610631531 LUDI 0.007269422989550204 LibDock 0.08041799182189914 LigandFit 0.003634711494775102 MCSS 9.086778736937755E-4 MODELER 0.23671058609722853 MesoDyn 9.086778736937755E-4 Mesocite 0.005452067242162653 Mesoscale 0.007269422989550204 Morphology 0.012721490231712857 ONETEP 0.0013630168105406633 Polymorph 9.086778736937755E-4 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.2789641072239891 Reflex 0.020899591094956836 Reflex Plus 0.0 Semi-empirical 0.01226715129486597 Sorption 0.045888232621535664 Synthia 9.086778736937755E-4 TURBOMOLE 0.0 VAMP 0.0013630168105406633 Visualization 0.9700136301681054 X-Cell 0.0 ZDOCK 0.05542935029532031

Year

2020 0.022271714922048998 2021 0.16982182628062362 2022 0.3368596881959911 2023 0.6007795100222717 2024 1.0 2025 0.920935412026726 2026 0.2232739420935412 2027 0.0

Keywords

interaction 1.0 target 0.9555466559871846 between 0.4012815378454145 docking 0.36363636363636365 potential 0.2945534641569884 analysis 0.2701241489787745 visualization 0.25190228273928716 binding 0.21405686824189027 protein 0.10732879455346415 energy 0.09771726071285543 mechanism 0.0895074088906688 novel 0.06668001601922306 cell 0.06127352823388066 activity 0.04825790949138967 stability 0.04525430516619944 drug 0.030837004405286344 experimental 0.026031237484981977 complex 0.025430516619943933 including 0.01682018422106528 silico 0.014217060472567081 development 0.012214657589106928 effective 0.010212254705646776 strong 0.0062074489387264715 promising 0.002803364036844213 role 0.0
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