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Application

Discovery Studio 1.0 Materials Studio 0.6404239212717638 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.050239234449760764 Amorphous Cell 0.2619617224880383 Blends 0.0011961722488038277 CASTEP 0.24043062200956938 CDOCKER 0.2284688995215311 CHARMm 0.36004784688995217 COMPASS 0.28588516746411485 COMPASS III 0.11722488038277512 COSMObase 0.0023923444976076554 COSMOconf 0.004784688995215311 COSMOperm 0.0 COSMOtherm 0.04784688995215311 Catalyst 0.09210526315789473 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.0645933014354067 DFTB Plus 0.0 DMol3 0.09210526315789473 DPD 0.0035885167464114833 Discover 0.007177033492822967 Forcite 0.46291866028708134 GULP 0.0035885167464114833 LUDI 0.0011961722488038277 LibDock 0.08492822966507177 LigandFit 0.004784688995215311 MODELER 0.3026315789473684 Mesocite 0.004784688995215311 Mesoscale 0.007177033492822967 Morphology 0.013157894736842105 ONETEP 0.0 Polymorph 0.0011961722488038277 Quantum Mechanics 0.33014354066985646 Reflex 0.04784688995215311 Reflex Plus 0.0 Semi-empirical 0.0 Sorption 0.05143540669856459 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.8648325358851675 X-Cell 0.0 ZDOCK 0.04066985645933014

Year

2025 1.0 2026 0.6862601028655401 2027 0.0

Keywords

target 1.0 potential 0.34242761692650336 docking 0.30178173719376394 analysis 0.24164810690423164 visualization 0.21937639198218262 binding 0.11469933184855234 between 0.11024498886414254 promising 0.09521158129175947 novel 0.09298440979955457 activity 0.08741648106904232 cell 0.04621380846325167 strong 0.045657015590200446 therapeutic 0.03953229398663697 including 0.036191536748329624 stability 0.03285077951002227 energy 0.031180400890868598 development 0.022271714922048998 protein 0.02060133630289532 effective 0.012806236080178173 mechanism 0.012249443207126948 synthesized 0.011692650334075724 interaction 0.008908685968819599 inhibition 0.0066815144766146995 performance 0.0011135857461024498 enhanced 0.0
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