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Application

Discovery Studio 0.8310502283105022 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0517464424320828 Amorphous Cell 0.2923673997412678 Blends 0.00129366106080207 CASTEP 0.21992238033635186 CDOCKER 0.14359637774902975 CHARMm 0.20827943078913325 COMPASS 0.35058214747736094 COMPASS III 0.13195342820181113 COSMObase 0.00258732212160414 COSMOconf 0.01034928848641656 COSMOmic 0.0 COSMOperm 0.00129366106080207 COSMOtherm 0.07503234152652005 Catalyst 0.06985769728331177 Classical Simulations 1.0 Crystallization 0.08408796895213454 DFTB Plus 0.00258732212160414 DMol3 0.09961190168175937 DPD 0.00258732212160414 Discover 0.0038809831824062097 Forcite 0.5640362225097024 GULP 0.009055627425614488 Kinetix 0.0 LibDock 0.055627425614489 LigandFit 0.0 MODELER 0.19146183699870634 Mesocite 0.00258732212160414 Mesoscale 0.00517464424320828 Morphology 0.018111254851228976 ONETEP 0.00258732212160414 Polymorph 0.0 Quantum Mechanics 0.31953428201811124 Reflex 0.059508408796895215 Reflex Plus 0.0 Semi-empirical 0.00258732212160414 Sorption 0.0724450194049159 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.5912031047865459 ZDOCK 0.019404915912031046

Year

2025 0.7930682976554536 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.2776603241719521 analysis 0.20789288231148698 docking 0.18886539816772374 visualization 0.13953488372093023 between 0.10993657505285412 promising 0.0824524312896406 novel 0.07751937984496124 cell 0.06835799859055673 binding 0.06694855532064835 energy 0.06201550387596899 performance 0.05567300916138125 activity 0.04792107117688513 strategy 0.037350246652572236 stability 0.02748414376321353 strong 0.026779422128259338 synthesized 0.026779422128259338 therapeutic 0.013389711064129669 enhanced 0.01127554615926709 mechanism 0.01127554615926709 effective 0.009161381254404511 design 0.008456659619450317 including 0.007047216349541931 development 0.0021141649048625794 experimental 0.0
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