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Application

Discovery Studio 1.0 Materials Studio 0.7362270450751253 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05501618122977346 Amorphous Cell 0.2588996763754045 Blends 0.003236245954692557 CASTEP 0.25970873786407767 CDOCKER 0.2022653721682848 CHARMm 0.3276699029126214 COMPASS 0.3122977346278317 COMPASS III 0.10598705501618123 COSMObase 0.0024271844660194173 COSMOconf 0.003236245954692557 COSMOperm 0.0 COSMOtherm 0.05016181229773463 Catalyst 0.08576051779935275 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06634304207119741 DFTB Plus 0.0 DMol3 0.11245954692556634 DPD 0.0024271844660194173 Discover 0.0056634304207119745 Forcite 0.48624595469255666 GULP 0.00889967637540453 LUDI 0.0048543689320388345 LibDock 0.0825242718446602 LigandFit 0.0040453074433656954 MODELER 0.29854368932038833 Mesocite 0.0040453074433656954 Mesoscale 0.0056634304207119745 Morphology 0.012944983818770227 ONETEP 0.0 Polymorph 0.0016181229773462784 QMERA 0.0 Quantum Mechanics 0.3673139158576052 Reflex 0.05016181229773463 Reflex Plus 0.0 Semi-empirical 0.0016181229773462784 Sorption 0.05177993527508091 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7880258899676376 X-Cell 0.0016181229773462784 ZDOCK 0.03559870550161812

Year

2024 0.10799522673031026 2025 1.0 2026 0.8705250596658711 2027 0.0

Keywords

target 1.0 potential 0.3500990099009901 docking 0.2899009900990099 analysis 0.2491089108910891 visualization 0.201980198019802 between 0.13267326732673268 binding 0.11564356435643565 promising 0.10613861386138614 novel 0.10257425742574257 activity 0.08158415841584159 cell 0.05821782178217822 strong 0.04712871287128713 stability 0.04198019801980198 energy 0.03683168316831683 including 0.03564356435643564 development 0.026534653465346534 therapeutic 0.024554455445544555 protein 0.022574257425742573 mechanism 0.0201980198019802 effective 0.019801980198019802 interaction 0.016237623762376238 performance 0.016237623762376238 enhanced 0.013861386138613862 synthesized 0.012673267326732674 design 0.0
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