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Application

Discovery Studio 0.8073248407643312 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04198473282442748 Amorphous Cell 0.2958015267175573 CASTEP 0.3148854961832061 CDOCKER 0.1736641221374046 CHARMm 0.29389312977099236 COMPASS 0.33396946564885494 COMPASS III 0.08969465648854962 COSMObase 0.009541984732824428 COSMOconf 0.003816793893129771 COSMOquick 0.0019083969465648854 COSMOtherm 0.08778625954198473 Catalyst 0.15648854961832062 Classical Simulations 1.0 Crystallization 0.0916030534351145 DFTB Plus 0.003816793893129771 DMol3 0.1984732824427481 DPD 0.0 Forcite 0.5190839694656488 GULP 0.022900763358778626 LUDI 0.007633587786259542 LibDock 0.07251908396946564 LigandFit 0.003816793893129771 MCSS 0.0 MODELER 0.17748091603053434 MesoDyn 0.0 Mesocite 0.0 Mesoscale 0.003816793893129771 Morphology 0.02480916030534351 Polymorph 0.0 QMERA 0.0 QSAR 0.003816793893129771 Quantum Mechanics 0.5076335877862596 Reflex 0.0648854961832061 Semi-empirical 0.009541984732824428 Sorption 0.05152671755725191 VAMP 0.0019083969465648854 Visualization 0.4904580152671756 ZDOCK 0.02099236641221374

Year

2023 0.0 2024 0.46382189239332094 2025 1.0 2026 0.562152133580705

Keywords

design 1.0 target 0.927255985267035 potential 0.23388581952117865 novel 0.1832412523020258 synthesis 0.15837937384898712 docking 0.15653775322283608 between 0.13904235727440148 analysis 0.1261510128913444 synthesized 0.09944751381215469 promising 0.09208103130755065 performance 0.08747697974217311 development 0.07642725598526703 energy 0.07458563535911603 activity 0.070902394106814 cell 0.06998158379373849 visualization 0.06261510128913444 binding 0.0432780847145488 stability 0.03591160220994475 designed 0.027624309392265192 compound 0.024861878453038673 effective 0.024861878453038673 strong 0.017495395948434623 strategy 0.010128913443830571 efficient 0.0 potent 0.0
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