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Application

Discovery Studio 1.0 Materials Studio 0.9535398230088495 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05060728744939271 Amorphous Cell 0.26788124156545207 Blends 0.0 CASTEP 0.2894736842105263 CDOCKER 0.17273954116059378 CHARMm 0.27530364372469635 COMPASS 0.3360323886639676 COMPASS III 0.10863697705802969 COSMObase 0.004723346828609987 COSMOconf 0.007422402159244264 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 6.747638326585695E-4 COSMOquick 6.747638326585695E-4 COSMOtherm 0.06477732793522267 Catalyst 0.07422402159244265 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07827260458839407 DFTB Plus 0.005398110661268556 DMol3 0.14304993252361672 DPD 6.747638326585695E-4 Discover 0.0020242914979757085 Forcite 0.5182186234817814 GULP 0.016869095816464237 Kinetix 0.0 LUDI 0.004048582995951417 LibDock 0.07152496626180836 LigandFit 0.0033738191632928477 MODELER 0.2719298245614035 Mesocite 0.0020242914979757085 Mesoscale 0.0033738191632928477 Morphology 0.018218623481781375 ONETEP 6.747638326585695E-4 Polymorph 0.002699055330634278 QMERA 0.0 Quantum Mechanics 0.42645074224021595 Reflex 0.05465587044534413 Reflex Plus 6.747638326585695E-4 Semi-empirical 0.006747638326585695 Sorption 0.06680161943319839 Synthia 6.747638326585695E-4 VAMP 0.0 Visualization 0.6902834008097166 X-Cell 6.747638326585695E-4 ZDOCK 0.02699055330634278

Year

2024 0.10959651035986914 2025 1.0 2026 0.9667393675027263 2027 0.0

Keywords

target 1.0 potential 0.3367382881296231 docking 0.2363508277562522 analysis 0.2356463543501233 visualization 0.1715392743923917 between 0.13702007749207468 promising 0.0986262768580486 novel 0.09475167312433956 binding 0.08559351884466361 energy 0.07678760126805213 cell 0.06128918633321592 stability 0.04649524480450863 activity 0.043677351179992954 performance 0.03592814371257485 including 0.03381472349418809 strong 0.020781965480803098 effective 0.018668545262416344 strategy 0.01549841493483621 development 0.014793941528707291 synthesized 0.013032758013384995 mechanism 0.009862627685804861 enhanced 0.008805917576611482 therapeutic 0.003522367030644593 interaction 3.522367030644593E-4 design 0.0
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