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Application

Discovery Studio 0.9915529564652371 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05904761904761905 Amorphous Cell 0.2761904761904762 Blends 0.002285714285714286 CASTEP 0.2918095238095238 CDOCKER 0.1660952380952381 CHARMm 0.26666666666666666 COMPASS 0.3417142857142857 COMPASS III 0.10933333333333334 COSMObase 0.0038095238095238095 COSMOconf 0.005714285714285714 COSMOmic 0.0 COSMOperm 7.619047619047619E-4 COSMOplex 3.8095238095238096E-4 COSMOquick 0.0 COSMOtherm 0.06209523809523809 Catalyst 0.07161904761904762 Classical Simulations 1.0 Conformers 3.8095238095238096E-4 Crystallization 0.07580952380952381 DFTB Plus 0.0034285714285714284 DMol3 0.13752380952380952 DPD 0.002285714285714286 Discover 0.004190476190476191 Forcite 0.5234285714285715 GULP 0.013333333333333334 Kinetix 0.0 LUDI 0.0026666666666666666 LibDock 0.06628571428571428 LigandFit 0.0034285714285714284 MODELER 0.24495238095238095 Mesocite 0.0034285714285714284 Mesoscale 0.005333333333333333 Morphology 0.017523809523809525 ONETEP 7.619047619047619E-4 Polymorph 0.0019047619047619048 QMERA 3.8095238095238096E-4 QSAR 0.0 Quantum Mechanics 0.42247619047619045 Reflex 0.054857142857142854 Reflex Plus 3.8095238095238096E-4 Semi-empirical 0.004952380952380952 Sorption 0.05828571428571429 Synthia 7.619047619047619E-4 TURBOMOLE 0.0 VAMP 3.8095238095238096E-4 Visualization 0.6651428571428571 X-Cell 0.0019047619047619048 ZDOCK 0.02819047619047619

Year

2024 0.0571870170015456 2025 0.9867078825347759 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.322548231511254 analysis 0.22889871382636656 docking 0.22688906752411575 visualization 0.16459003215434084 between 0.13806270096463022 promising 0.09264469453376206 novel 0.09043408360128617 binding 0.0767684887459807 energy 0.07134244372990353 cell 0.06270096463022508 activity 0.04581993569131833 stability 0.04481511254019293 performance 0.04421221864951769 strong 0.029943729903536977 including 0.02632636655948553 enhanced 0.018287781350482316 mechanism 0.017684887459807074 strategy 0.01607717041800643 development 0.01587620578778135 effective 0.013866559485530547 synthesized 0.011655948553054662 experimental 0.003215434083601286 therapeutic 4.0192926045016077E-4 design 0.0
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