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Application

Discovery Studio 1.0 Materials Studio 0.6964688204357626 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04631696428571429 Amorphous Cell 0.25 Blends 0.0011160714285714285 CASTEP 0.24441964285714285 CDOCKER 0.21261160714285715 CHARMm 0.33761160714285715 COMPASS 0.29910714285714285 COMPASS III 0.11328125 COSMObase 0.0033482142857142855 COSMOconf 0.008370535714285714 COSMOmic 0.0 COSMOperm 5.580357142857143E-4 COSMOplex 5.580357142857143E-4 COSMOtherm 0.05970982142857143 Catalyst 0.09375 Classical Simulations 1.0 Conformers 5.580357142857143E-4 Crystallization 0.07087053571428571 DFTB Plus 0.0033482142857142855 DMol3 0.10993303571428571 DPD 0.0016741071428571428 Discover 0.00390625 Forcite 0.47823660714285715 GULP 0.009486607142857142 Kinetix 0.0 LUDI 0.0027901785714285715 LibDock 0.08705357142857142 LigandFit 0.004464285714285714 MODELER 0.3080357142857143 Mesocite 0.004464285714285714 Mesoscale 0.005580357142857143 Morphology 0.017299107142857144 ONETEP 0.0011160714285714285 Polymorph 0.0016741071428571428 Quantum Mechanics 0.3510044642857143 Reflex 0.05022321428571429 Reflex Plus 0.0 Semi-empirical 0.0033482142857142855 Sorption 0.056361607142857144 Synthia 0.0011160714285714285 TURBOMOLE 0.0 Visualization 0.8097098214285714 X-Cell 5.580357142857143E-4 ZDOCK 0.03794642857142857

Year

2024 0.0 2025 1.0 2026 0.7502706604114038 2027 0.003608805485384338

Keywords

target 1.0 potential 0.3502120890774125 docking 0.2831389183457052 analysis 0.23568398727465537 visualization 0.19989395546129374 between 0.11611876988335101 binding 0.10365853658536585 novel 0.1007423117709438 promising 0.09703075291622482 activity 0.07290562036055143 cell 0.04612937433722163 energy 0.03685047720042418 stability 0.03685047720042418 including 0.036585365853658534 therapeutic 0.0344644750795334 strong 0.03234358430540827 development 0.022799575821845174 protein 0.017762460233297986 effective 0.014846235418875928 synthesized 0.012725344644750796 mechanism 0.010604453870625663 strategy 0.006362672322375398 performance 0.005302226935312832 interaction 0.0029162248144220574 inhibition 0.0
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