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Application

Discovery Studio 1.0 Materials Studio 0.7800338409475466 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.047149122807017545 Amorphous Cell 0.2543859649122807 Blends 0.0010964912280701754 CASTEP 0.19188596491228072 CDOCKER 0.1787280701754386 CHARMm 0.2883771929824561 COMPASS 0.31359649122807015 COMPASS III 0.1162280701754386 COSMObase 0.0021929824561403508 COSMOconf 0.009868421052631578 COSMOmic 0.0 COSMOperm 0.0 COSMOtherm 0.06798245614035088 Catalyst 0.09868421052631579 Classical Simulations 1.0 Crystallization 0.0712719298245614 DFTB Plus 0.0010964912280701754 DMol3 0.08881578947368421 DPD 0.0021929824561403508 Discover 0.0043859649122807015 Forcite 0.5076754385964912 GULP 0.007675438596491228 Kinetix 0.0 LUDI 0.0010964912280701754 LibDock 0.07675438596491228 LigandFit 0.003289473684210526 MODELER 0.2730263157894737 Mesocite 0.0021929824561403508 Mesoscale 0.0043859649122807015 Morphology 0.015350877192982455 ONETEP 0.0021929824561403508 Polymorph 0.0 Quantum Mechanics 0.2807017543859649 Reflex 0.051535087719298246 Semi-empirical 0.0010964912280701754 Sorption 0.05921052631578947 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.7269736842105263 ZDOCK 0.02850877192982456

Year

2025 1.0 2026 0.837378640776699 2027 0.0

Keywords

target 1.0 potential 0.3202614379084967 docking 0.25163398692810457 analysis 0.22821350762527234 visualization 0.17592592592592593 between 0.1116557734204793 novel 0.09803921568627451 promising 0.09095860566448802 binding 0.08823529411764706 cell 0.05065359477124183 activity 0.05010893246187364 therapeutic 0.04520697167755991 energy 0.029411764705882353 strong 0.029411764705882353 including 0.02505446623093682 synthesized 0.02505446623093682 stability 0.02178649237472767 development 0.013616557734204794 strategy 0.013071895424836602 mechanism 0.009259259259259259 performance 0.009259259259259259 protein 0.0054466230936819175 synthesis 0.004357298474945534 effective 0.0027233115468409588 design 0.0
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