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Application

Discovery Studio 1.0 Materials Studio 0.5353477765108324 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.050106609808102345 Amorphous Cell 0.18763326226012794 Blends 0.0 CASTEP 0.28038379530916846 CDOCKER 0.34968017057569295 CHARMm 0.4349680170575693 COMPASS 0.27825159914712155 COMPASS III 0.07569296375266525 COSMObase 0.0 COSMOperm 0.0 COSMOquick 0.0010660980810234541 COSMOtherm 0.03837953091684435 Catalyst 0.19189765458422176 Classical Simulations 1.0 Crystallization 0.04797441364605544 DMol3 0.13326226012793177 DPD 0.0010660980810234541 Discover 0.0 Forcite 0.40618336886993606 GULP 0.006396588486140725 LUDI 0.009594882729211088 LibDock 0.1257995735607676 LigandFit 0.009594882729211088 MCSS 0.0 MODELER 0.38699360341151384 MesoDyn 0.0 Mesocite 0.0 Mesoscale 0.0031982942430703624 Morphology 0.006396588486140725 ONETEP 0.0 Polymorph 0.0042643923240938165 QSAR 0.0 Quantum Mechanics 0.4093816631130064 Reflex 0.035181236673773986 Reflex Plus 0.0 Sorption 0.022388059701492536 Visualization 0.8518123667377399 X-Cell 0.0 ZDOCK 0.03624733475479744

Year

2024 0.46188925081433224 2025 1.0 2026 0.3674267100977199 2027 0.0

Keywords

novel 1.0 target 0.9380111924235902 potential 0.37752905725355146 docking 0.3086526043908739 analysis 0.19156263452432198 promising 0.15238915195867414 visualization 0.13861386138613863 synthesized 0.11924235901851055 binding 0.09987085665088248 development 0.09728798966853207 activity 0.08566508824795523 synthesis 0.07877744296168747 between 0.07705553164012054 compound 0.06284976323719328 therapeutic 0.04046491605682307 effective 0.018510546706844596 stability 0.017219113215669393 including 0.014636246233318984 protein 0.014636246233318984 design 0.008179078777442962 vitro 0.005165733964700818 drug 0.004735256134309083 inhibition 0.0038743004735256135 cell 8.609556607834697E-4 strategy 0.0
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