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Application

Discovery Studio 1.0 Materials Studio 0.5182232346241458 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.048268625393494226 Amorphous Cell 0.22455403987408185 Blends 0.002098635886673662 CASTEP 0.23924449108079748 CDOCKER 0.25918153200419725 CHARMm 0.40293809024134314 COMPASS 0.2780692549842602 COMPASS III 0.08184679958027283 COSMObase 0.0031479538300104933 COSMOconf 0.001049317943336831 COSMOquick 0.0 COSMOtherm 0.05036726128016789 Catalyst 0.11122770199370409 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.05876180482686254 DFTB Plus 0.0062959076600209865 DMol3 0.11227701993704092 DPD 0.0062959076600209865 Discover 0.001049317943336831 Forcite 0.4354669464847849 GULP 0.022035676810073453 Kinetix 0.0 LUDI 0.005246589716684155 LibDock 0.10912906610703044 LigandFit 0.004197271773347324 MODELER 0.40398740818467993 MesoDyn 0.0 Mesocite 0.001049317943336831 Mesoscale 0.008394543546694649 Modules 0.0 Morphology 0.008394543546694649 ONETEP 0.0 Polymorph 0.001049317943336831 Quantum Mechanics 0.3410283315844701 Reflex 0.04407135362014691 Reflex Plus 0.002098635886673662 Semi-empirical 0.0062959076600209865 Sorption 0.03987408184679958 Synthia 0.002098635886673662 Visualization 0.9538300104931794 X-Cell 0.001049317943336831 ZDOCK 0.040923399790136414

Year

2025 0.0

Keywords

target 1.0 potential 0.36818980667838314 docking 0.3163444639718805 analysis 0.2429701230228471 visualization 0.2095782073813708 binding 0.1234622144112478 between 0.12082601054481547 novel 0.10852372583479789 promising 0.10017574692442882 activity 0.06810193321616871 including 0.05711775043936731 therapeutic 0.04130052724077329 protein 0.033391915641476276 stability 0.03031634446397188 cell 0.024165202108963092 silico 0.021528998242530756 vitro 0.01845342706502636 synthesis 0.013181019332161687 interaction 0.010984182776801407 development 0.01054481546572935 inhibition 0.009666080843585237 synthesized 0.00922671353251318 energy 0.007908611599297012 strong 0.006590509666080844 compound 0.0
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