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Application

Discovery Studio 1.0 Materials Studio 0.7113459399332592 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04272801972062449 Amorphous Cell 0.24404272801972063 Blends 0.0 CASTEP 0.2522596548890715 CDOCKER 0.20624486442070666 CHARMm 0.3278553820870994 COMPASS 0.3114215283483977 COMPASS III 0.10353327855382087 COSMObase 0.004108463434675432 COSMOconf 0.008216926869350863 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 8.216926869350862E-4 COSMOtherm 0.06491372226787182 Catalyst 0.08792111750205424 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06902218570254724 DFTB Plus 0.0049301561216105174 DMol3 0.1257189811010682 Discover 0.0 Forcite 0.47493837304847986 GULP 0.014790468364831553 Kinetix 0.0 LUDI 0.004108463434675432 LibDock 0.08709942481511915 LigandFit 0.003286770747740345 MODELER 0.32703368940016436 Mesocite 0.0024650780608052587 Mesoscale 0.0024650780608052587 Morphology 0.016433853738701727 ONETEP 8.216926869350862E-4 Polymorph 0.0016433853738701725 Quantum Mechanics 0.37387017255546423 Reflex 0.04847986852917009 Semi-empirical 0.005751848808545604 Sorption 0.0599835661462613 Synthia 8.216926869350862E-4 VAMP 0.0 Visualization 0.8027937551355793 X-Cell 0.0 ZDOCK 0.03286770747740345

Year

2024 0.1043272080616479 2025 1.0 2026 0.8494368701837581 2027 0.0

Keywords

target 1.0 potential 0.3641826923076923 docking 0.280849358974359 analysis 0.2375801282051282 visualization 0.1951121794871795 between 0.1201923076923077 binding 0.10296474358974358 novel 0.09935897435897435 promising 0.09375 activity 0.05689102564102564 energy 0.039663461538461536 cell 0.03926282051282051 stability 0.03445512820512821 including 0.030048076923076924 therapeutic 0.017227564102564104 protein 0.016426282051282052 strong 0.015224358974358974 effective 0.013621794871794872 development 0.011217948717948718 synthesized 0.006009615384615385 performance 0.003605769230769231 mechanism 0.0028044871794871795 interaction 0.001201923076923077 silico 8.012820512820513E-4 strategy 0.0
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