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Application

Discovery Studio 1.0 Materials Studio 0.9248216106014271 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05827430779137154 Amorphous Cell 0.2791371538956858 Blends 0.0022537025112685126 CASTEP 0.3071474565357373 CDOCKER 0.17578879587894397 CHARMm 0.28461043142305215 COMPASS 0.33161622665808116 COMPASS III 0.10431423052157116 COSMObase 0.004185447520927237 COSMOconf 0.007405022537025113 COSMOmic 0.0 COSMOperm 6.43915003219575E-4 COSMOplex 3.219575016097875E-4 COSMOquick 9.658725048293626E-4 COSMOtherm 0.0643915003219575 Catalyst 0.08081133290405666 Classical Simulations 1.0 Conformers 3.219575016097875E-4 Crystallization 0.07115260785576304 DFTB Plus 0.0016097875080489374 DMol3 0.14101738570508693 DPD 0.00128783000643915 Discover 0.004829362524146813 Forcite 0.5173857050869285 GULP 0.016097875080489377 Kinetix 0.0 LUDI 0.004185447520927237 LibDock 0.07405022537025113 LigandFit 0.004185447520927237 MCSS 3.219575016097875E-4 MODELER 0.2662588538312943 MesoDyn 6.43915003219575E-4 Mesocite 0.003219575016097875 Mesoscale 0.0051513200257566 Morphology 0.01674179008370895 ONETEP 6.43915003219575E-4 Polymorph 0.0016097875080489374 QMERA 0.0 QSAR 6.43915003219575E-4 Quantum Mechanics 0.44011590470057954 Reflex 0.05183515775917579 Reflex Plus 0.0 Semi-empirical 0.003219575016097875 Sorption 0.0540888602704443 Synthia 9.658725048293626E-4 TURBOMOLE 0.0 VAMP 9.658725048293626E-4 Visualization 0.7128139085640696 X-Cell 0.00128783000643915 ZDOCK 0.03187379265936896

Year

2024 0.24168891045862656 2025 1.0 2026 0.735501091967969 2027 0.0

Keywords

target 1.0 potential 0.31613508442776733 docking 0.23342714196372732 analysis 0.21482176360225141 visualization 0.16541588492808004 between 0.1378986866791745 novel 0.09834271419637274 promising 0.08880550343964978 binding 0.08130081300813008 energy 0.06128830519074421 cell 0.05909943714821764 activity 0.04987492182614134 stability 0.03971232020012508 performance 0.02736085053158224 including 0.02689180737961226 strong 0.020168855534709193 development 0.018449030644152594 effective 0.01172607879924953 mechanism 0.011569731081926203 synthesized 0.008755472170106316 enhanced 0.007661038148843027 therapeutic 0.00375234521575985 interaction 0.0028142589118198874 experimental 0.002188868042526579 design 0.0
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