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Application

Discovery Studio 0.777027027027027 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.055951727921009324 Amorphous Cell 0.2890839275918815 Blends 0.0016456390565002743 CASTEP 0.2885353812397148 CDOCKER 0.13549094898518924 CHARMm 0.21996708721886998 COMPASS 0.3587493143170598 COMPASS III 0.12781130005485464 COSMObase 0.004388370817334065 COSMOconf 0.008228195282501372 COSMOmic 0.0 COSMOperm 5.485463521667581E-4 COSMOplex 5.485463521667581E-4 COSMOtherm 0.06911684037301152 Catalyst 0.06527701590784421 Classical Simulations 1.0 Conformers 5.485463521667581E-4 Crystallization 0.0784421283598464 DFTB Plus 0.0038398244651673065 DMol3 0.13439385628085573 DPD 0.0016456390565002743 Discover 0.0038398244651673065 Forcite 0.562260010970927 GULP 0.013713658804168952 Kinetix 0.0 LUDI 0.0010970927043335162 LibDock 0.05650027427317608 LigandFit 0.0021941854086670325 MODELER 0.19473395501919913 Mesocite 0.004388370817334065 Mesoscale 0.005485463521667581 Morphology 0.018650575973669776 ONETEP 0.0010970927043335162 Polymorph 0.0021941854086670325 QMERA 0.0 Quantum Mechanics 0.4185408667032364 Reflex 0.055951727921009324 Reflex Plus 0.0 Semi-empirical 0.004936917169500823 Sorption 0.06637410861217773 Synthia 0.0010970927043335162 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.578167855183763 X-Cell 0.0010970927043335162 ZDOCK 0.02303894679100384

Year

2025 0.7450505050505051 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.28536436007348437 analysis 0.20789957134109002 docking 0.177893447642376 between 0.1374770361298224 visualization 0.1334966319657073 promising 0.08879363135333741 energy 0.08665033680342928 novel 0.07348438456827924 cell 0.06858542559706063 performance 0.0670545009185548 binding 0.05143906919779547 stability 0.0419473361910594 strategy 0.03459889773423148 strong 0.03214941824862217 activity 0.02878138395590937 enhanced 0.02357624004898959 including 0.021739130434782608 mechanism 0.016840171463563994 experimental 0.010410287813839559 effective 0.008879363135333742 development 0.007960808328230252 design 0.004898958971218616 synthesized 9.185548071034905E-4 therapeutic 0.0
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