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Application

Discovery Studio 1.0 Materials Studio 0.5974226804123711 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04541559554413025 Amorphous Cell 0.23564695801199656 Blends 0.001713796058269066 CASTEP 0.24592973436161097 CDOCKER 0.26306769494430166 CHARMm 0.401885175664096 COMPASS 0.30162810625535563 COMPASS III 0.06855184233076264 COSMObase 0.003427592116538132 COSMOconf 0.002570694087403599 COSMOmic 0.0 COSMOperm 0.002570694087403599 COSMOplex 0.0 COSMOquick 0.004284490145672665 COSMOtherm 0.061696658097686374 Catalyst 0.1868037703513282 Classical Simulations 1.0 Crystallization 0.05141388174807198 DFTB Plus 0.003427592116538132 DMol3 0.16281062553556128 DPD 8.56898029134533E-4 Discover 0.002570694087403599 Forcite 0.44301628106255353 GULP 0.011996572407883462 LUDI 0.006855184233076264 LibDock 0.10968294772922023 LigandFit 0.011139674378748929 MCSS 0.0 MODELER 0.31276778063410454 MesoDyn 0.0 Mesocite 8.56898029134533E-4 Mesoscale 0.003427592116538132 Morphology 0.013710368466152529 ONETEP 0.001713796058269066 Polymorph 8.56898029134533E-4 QSAR 0.002570694087403599 Quantum Mechanics 0.401885175664096 Reflex 0.03513281919451585 Reflex Plus 0.0 Semi-empirical 0.003427592116538132 Sorption 0.038560411311053984 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.8200514138817481 X-Cell 0.0 ZDOCK 0.04198800342759212

Year

2023 0.0 2024 0.469475494411006 2025 1.0 2026 0.0885640584694755

Keywords

development 1.0 target 0.9465703971119134 potential 0.3703971119133574 docking 0.2667870036101083 novel 0.21660649819494585 analysis 0.18050541516245489 visualization 0.1472924187725632 promising 0.11660649819494585 between 0.10794223826714801 binding 0.0927797833935018 activity 0.07184115523465703 effective 0.053790613718411553 cell 0.03754512635379061 protein 0.03646209386281588 design 0.035018050541516244 therapeutic 0.033574007220216605 including 0.020216606498194945 drug 0.019494584837545126 stability 0.013357400722021661 interaction 0.011913357400722021 compound 0.007942238267148015 treatment 0.0018050541516245488 synthesized 0.0010830324909747292 mechanism 3.6101083032490973E-4 energy 0.0
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