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Application

Discovery Studio 0.8053212199870214 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05124223602484472 Amorphous Cell 0.29037267080745344 Blends 0.0015527950310559005 CASTEP 0.2701863354037267 CDOCKER 0.14518633540372672 CHARMm 0.22282608695652173 COMPASS 0.35093167701863354 COMPASS III 0.1327639751552795 COSMObase 0.003105590062111801 COSMOconf 0.010093167701863354 COSMOmic 0.0 COSMOperm 7.763975155279503E-4 COSMOplex 7.763975155279503E-4 COSMOtherm 0.06909937888198758 Catalyst 0.06832298136645963 Classical Simulations 1.0 Conformers 7.763975155279503E-4 Crystallization 0.08695652173913043 DFTB Plus 0.002329192546583851 DMol3 0.1203416149068323 DPD 0.0015527950310559005 Discover 0.003105590062111801 Forcite 0.5659937888198758 GULP 0.008540372670807454 Kinetix 0.0 LUDI 0.0 LibDock 0.05512422360248447 LigandFit 0.002329192546583851 MODELER 0.20729813664596272 Mesocite 0.004658385093167702 Mesoscale 0.006211180124223602 Morphology 0.02096273291925466 ONETEP 0.0015527950310559005 Polymorph 0.002329192546583851 Quantum Mechanics 0.3889751552795031 Reflex 0.06133540372670807 Reflex Plus 0.0 Semi-empirical 0.002329192546583851 Sorption 0.06909937888198758 Synthia 7.763975155279503E-4 TURBOMOLE 0.0 Visualization 0.5815217391304348 X-Cell 7.763975155279503E-4 ZDOCK 0.02096273291925466

Year

2025 0.7709790209790209 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.28650021159542954 analysis 0.19974608548455353 docking 0.18747355057130766 between 0.1358442657638595 visualization 0.13415150232754972 promising 0.08590774439272111 novel 0.08125264494286924 cell 0.07532797291578502 energy 0.07532797291578502 performance 0.06093948370715192 binding 0.05670757511637749 stability 0.04443504020313161 strategy 0.044011849344054166 activity 0.039356749894202285 strong 0.033855268726195514 including 0.02454506982649175 enhanced 0.022429115531104528 mechanism 0.017350825222175202 development 0.01608125264494287 effective 0.014388489208633094 design 0.010579771476936098 synthesized 0.010579771476936098 therapeutic 0.007194244604316547 experimental 0.0
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