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Application

Discovery Studio 1.0 Materials Studio 0.1537422839506173 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.014766483516483516 Amorphous Cell 0.0260989010989011 CASTEP 0.08070054945054946 CDOCKER 0.24931318681318682 CHARMm 0.3073489010989011 COMPASS 0.044986263736263736 COMPASS III 0.011675824175824176 COSMObase 0.0010302197802197802 COSMOconf 0.0013736263736263737 COSMOperm 0.0 COSMOtherm 0.017857142857142856 Catalyst 0.16861263736263737 Classical Simulations 0.40899725274725274 Conformers 0.0 Crystallization 0.018543956043956044 DFTB Plus 3.4340659340659343E-4 DMol3 0.09134615384615384 DPD 0.0 Discover 6.868131868131869E-4 Forcite 0.07142857142857142 GULP 0.002403846153846154 LUDI 0.0030906593406593405 LibDock 0.09615384615384616 LigandFit 0.008585164835164836 MCSS 3.4340659340659343E-4 MODELER 0.23660714285714285 MesoDyn 0.0 Mesocite 3.4340659340659343E-4 Mesoscale 6.868131868131869E-4 Morphology 0.001717032967032967 Polymorph 0.0 QMERA 3.4340659340659343E-4 QSAR 6.868131868131869E-4 Quantum Mechanics 0.16895604395604397 Reflex 0.016483516483516484 Semi-empirical 0.0013736263736263737 Sorption 0.005151098901098901 VAMP 0.0 Visualization 1.0 ZDOCK 0.03125

Year

2021 0.015197568389057751 2022 0.4808510638297872 2023 0.6480243161094225 2024 1.0 2025 0.79209726443769 2026 0.0

Keywords

activity 1.0 target 0.9678817733990148 docking 0.4782266009852217 potential 0.3696551724137931 visualization 0.36512315270935963 analysis 0.21399014778325123 novel 0.16118226600985222 binding 0.15724137931034482 vitro 0.12571428571428572 compound 0.09852216748768473 synthesis 0.0896551724137931 inhibition 0.08689655172413793 synthesized 0.08433497536945812 protein 0.08236453201970444 silico 0.08118226600985222 promising 0.07073891625615764 between 0.049852216748768476 potent 0.032315270935960594 treatment 0.030344827586206897 active 0.030147783251231526 drug 0.02108374384236453 development 0.013004926108374384 interaction 0.0049261083743842365 effective 9.852216748768472E-4 enzyme 0.0
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