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Application

Discovery Studio 0.873347679065478 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0635477582846004 Amorphous Cell 0.290448343079922 Blends 0.0023391812865497076 CASTEP 0.34619883040935673 CDOCKER 0.15555555555555556 CHARMm 0.24385964912280703 COMPASS 0.35282651072124754 COMPASS III 0.10545808966861599 COSMObase 0.0050682261208577 COSMOconf 0.006432748538011696 COSMOmic 0.0 COSMOperm 3.898635477582846E-4 COSMOplex 1.949317738791423E-4 COSMOquick 0.0013645224171539962 COSMOtherm 0.06920077972709551 Catalyst 0.07660818713450293 Classical Simulations 1.0 Conformers 3.898635477582846E-4 Crystallization 0.07173489278752436 DFTB Plus 0.0042884990253411305 DMol3 0.15886939571150097 DPD 0.0021442495126705653 Discover 0.004093567251461989 Forcite 0.5452241715399611 GULP 0.018908382066276805 Kinetix 1.949317738791423E-4 LUDI 0.003898635477582846 LibDock 0.06393762183235867 LigandFit 0.0035087719298245615 MCSS 3.898635477582846E-4 MODELER 0.23333333333333334 MesoDyn 5.847953216374269E-4 Mesocite 0.0031189083820662767 Mesoscale 0.005653021442495127 Modules 0.0 Morphology 0.015984405458089667 ONETEP 9.746588693957114E-4 Polymorph 0.0021442495126705653 QMERA 1.949317738791423E-4 QSAR 5.847953216374269E-4 Quantum Mechanics 0.495906432748538 Reflex 0.052046783625730994 Reflex Plus 5.847953216374269E-4 Semi-empirical 0.005653021442495127 Sorption 0.05769980506822612 Synthia 9.746588693957114E-4 TURBOMOLE 3.898635477582846E-4 VAMP 7.797270955165692E-4 Visualization 0.6567251461988304 X-Cell 0.0015594541910331384 ZDOCK 0.026900584795321637

Year

2023 6.052352852171282E-4 2024 0.3679830534120139 2025 1.0 2026 0.637312755333636 2027 0.0

Keywords

target 1.0 potential 0.2944761904761905 analysis 0.20761904761904762 docking 0.19914285714285715 between 0.15104761904761904 visualization 0.14923809523809523 novel 0.09161904761904761 energy 0.08885714285714286 promising 0.07990476190476191 cell 0.068 binding 0.06295238095238095 performance 0.05085714285714286 activity 0.04133333333333333 stability 0.040095238095238094 including 0.022285714285714287 effective 0.020095238095238097 experimental 0.019428571428571427 synthesized 0.019142857142857142 enhanced 0.017047619047619048 development 0.014285714285714285 mechanism 0.012285714285714285 strong 0.011904761904761904 interaction 0.007047619047619047 design 0.0035238095238095237 strategy 0.0
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