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Application

Discovery Studio 0.8695458593054319 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.056745182012847964 Amorphous Cell 0.2826552462526767 Blends 0.0016059957173447537 CASTEP 0.29229122055674517 CDOCKER 0.15042826552462527 CHARMm 0.2403640256959315 COMPASS 0.3474304068522484 COMPASS III 0.12312633832976445 COSMObase 0.003747323340471092 COSMOconf 0.008029978586723769 COSMOmic 0.0 COSMOperm 5.353319057815846E-4 COSMOplex 5.353319057815846E-4 COSMOtherm 0.06745182012847965 Catalyst 0.069593147751606 Classical Simulations 1.0 Conformers 5.353319057815846E-4 Crystallization 0.08029978586723768 DFTB Plus 0.0032119914346895075 DMol3 0.13329764453961457 DPD 0.0016059957173447537 Discover 0.003747323340471092 Forcite 0.547644539614561 GULP 0.012312633832976445 Kinetix 0.0 LUDI 0.0016059957173447537 LibDock 0.061027837259100645 LigandFit 0.0021413276231263384 MODELER 0.215203426124197 Mesocite 0.004817987152034261 Mesoscale 0.005888650963597431 Morphology 0.017665952890792293 ONETEP 0.0010706638115631692 Polymorph 0.0016059957173447537 Quantum Mechanics 0.4207708779443255 Reflex 0.059421841541755886 Reflex Plus 0.0 Semi-empirical 0.004282655246252677 Sorption 0.06049250535331906 Synthia 0.0010706638115631692 TURBOMOLE 0.0 VAMP 5.353319057815846E-4 Visualization 0.6236616702355461 X-Cell 5.353319057815846E-4 ZDOCK 0.02462526766595289

Year

2025 0.8278066320415501 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.30416068866571017 analysis 0.21061692969870874 docking 0.19684361549497847 visualization 0.1497847919655667 between 0.13256814921090387 promising 0.09354375896700143 novel 0.08493543758967001 energy 0.07431850789096127 cell 0.0642754662840746 binding 0.06255380200860833 performance 0.059110473457675755 stability 0.042467718794835005 activity 0.040459110473457675 strong 0.03730272596843615 strategy 0.02926829268292683 including 0.02812051649928264 enhanced 0.0218077474892396 mechanism 0.01951219512195122 effective 0.015781922525107604 development 0.01291248206599713 design 0.0040172166427546625 synthesized 0.0037302725968436155 therapeutic 0.003443328550932568 experimental 0.0
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