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Application

Discovery Studio 1.0 Materials Studio 0.9338178444410082 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.059126984126984125 Amorphous Cell 0.27936507936507937 Blends 0.0021825396825396826 CASTEP 0.32936507936507936 CDOCKER 0.1775793650793651 CHARMm 0.2843253968253968 COMPASS 0.32976190476190476 COMPASS III 0.10416666666666667 COSMObase 0.004365079365079365 COSMOconf 0.006349206349206349 COSMOmic 0.0 COSMOperm 3.968253968253968E-4 COSMOplex 1.984126984126984E-4 COSMOquick 0.0015873015873015873 COSMOtherm 0.06646825396825397 Catalyst 0.0884920634920635 Classical Simulations 1.0 Conformers 3.968253968253968E-4 Crystallization 0.07023809523809524 DFTB Plus 0.004166666666666667 DMol3 0.15178571428571427 DPD 0.0021825396825396826 Discover 0.003373015873015873 Forcite 0.5156746031746032 GULP 0.019444444444444445 Kinetix 1.984126984126984E-4 LUDI 0.003968253968253968 LibDock 0.07361111111111111 LigandFit 0.004365079365079365 MCSS 3.968253968253968E-4 MODELER 0.26031746031746034 MesoDyn 5.952380952380953E-4 Mesocite 0.0021825396825396826 Mesoscale 0.004761904761904762 Modules 0.0 Morphology 0.016865079365079364 ONETEP 9.92063492063492E-4 Polymorph 0.001984126984126984 QMERA 0.0 QSAR 7.936507936507937E-4 Quantum Mechanics 0.4720238095238095 Reflex 0.0503968253968254 Reflex Plus 5.952380952380953E-4 Semi-empirical 0.005753968253968254 Sorption 0.05694444444444444 Synthia 0.0011904761904761906 TURBOMOLE 1.984126984126984E-4 VAMP 0.0011904761904761906 Visualization 0.7398809523809524 X-Cell 0.001388888888888889 ZDOCK 0.030357142857142857

Year

2023 0.001927353595255745 2024 0.48643439584877685 2025 1.0 2026 0.5157894736842106 2027 0.0

Keywords

target 1.0 potential 0.2845710351949058 docking 0.21065312795800706 analysis 0.19318475174253508 visualization 0.15730143705360985 between 0.13157215385939247 novel 0.09095602788056105 promising 0.07383185612253679 binding 0.0697014026331641 energy 0.06471043800017211 cell 0.05438430427674038 activity 0.047500215127785905 stability 0.02899922553997074 performance 0.025643232079855433 including 0.018156785130367437 synthesized 0.015919456156957234 development 0.014456587212804406 effective 0.011961104896308408 mechanism 0.009379571465450478 experimental 0.00869116255055503 interaction 0.008002753635659582 protein 0.004818862404268136 enhanced 0.0018070734016005507 synthesis 6.884089148954479E-4 strong 0.0
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