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Application

Discovery Studio 1.0 Materials Studio 0.9314759036144579 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.043996333638863426 Amorphous Cell 0.26306141154903756 Blends 0.0 CASTEP 0.27497708524289644 CDOCKER 0.17323556370302476 CHARMm 0.2777268560953254 COMPASS 0.33363886342804766 COMPASS III 0.11365719523373052 COSMObase 0.00458295142071494 COSMOconf 0.00916590284142988 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 9.165902841429881E-4 COSMOtherm 0.07241063244729606 Catalyst 0.08249312557286893 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.076076993583868 DFTB Plus 0.005499541704857928 DMol3 0.13473877176901924 Discover 0.0 Forcite 0.5123739688359303 GULP 0.016498625114573784 Kinetix 0.0 LUDI 0.002749770852428964 LibDock 0.076993583868011 LigandFit 0.002749770852428964 MODELER 0.27314390467461047 Mesocite 0.002749770852428964 Mesoscale 0.002749770852428964 Morphology 0.01833180568285976 ONETEP 9.165902841429881E-4 Polymorph 0.0018331805682859762 Quantum Mechanics 0.4060494958753437 Reflex 0.05316223648029331 Semi-empirical 0.005499541704857928 Sorption 0.06507791017415215 Synthia 9.165902841429881E-4 Visualization 0.6782768102658112 X-Cell 0.0 ZDOCK 0.03024747937671861

Year

2024 0.0 2025 1.0 2026 0.9936034115138592 2027 0.004975124378109453

Keywords

target 1.0 potential 0.34291097503532736 docking 0.23504474799811587 analysis 0.2242110221384833 visualization 0.1629769194536034 between 0.13141780499293454 novel 0.10127178520960904 promising 0.10080075365049458 binding 0.07536504945831371 energy 0.06971267074894018 cell 0.05840791333019312 activity 0.047574187470560525 stability 0.04380593499764484 performance 0.038624587847385775 including 0.03203014601978332 strategy 0.025435704192180875 development 0.022138483278379653 strong 0.022138483278379653 effective 0.018370230805463968 therapeutic 0.01413094677343382 mechanism 0.010833725859632595 synthesized 0.010362694300518135 enhanced 0.008478568064060292 synthesis 4.710315591144607E-4 protein 0.0
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