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Application

Discovery Studio 1.0 Materials Studio 0.13402061855670103 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.024944567627494457 Amorphous Cell 0.046008869179600884 CASTEP 0.040465631929046564 CDOCKER 0.21618625277161863 CHARMm 0.4490022172949002 COMPASS 0.05931263858093126 COMPASS III 0.018847006651884702 COSMOperm 0.0 COSMOtherm 0.003880266075388027 Catalyst 0.1607538802660754 Classical Simulations 0.5958980044345898 Conformers 0.0 Crystallization 0.015521064301552107 DFTB Plus 0.004988913525498891 DMol3 0.07039911308203992 Forcite 0.10254988913525499 GULP 0.0066518847006651885 LUDI 0.005543237250554324 LibDock 0.06984478935698447 LigandFit 0.003880266075388027 MCSS 0.0 MODELER 0.3641906873614191 MesoDyn 0.0 Mesocite 5.543237250554324E-4 Mesoscale 0.0011086474501108647 Morphology 0.004988913525498891 ONETEP 0.0 Polymorph 0.0011086474501108647 QSAR 0.0011086474501108647 Quantum Mechanics 0.10975609756097561 Reflex 0.008869179600886918 Semi-empirical 0.005543237250554324 Sorption 0.012749445676274944 Synthia 0.0 VAMP 0.0 Visualization 1.0 ZDOCK 0.041574279379157426

Year

2023 0.3037166085946574 2024 1.0 2025 0.9802555168408827 2026 0.09175377468060394 2027 0.0

Keywords

binding 1.0 target 0.962708830548926 docking 0.6223150357995226 potential 0.4618138424821002 analysis 0.3278639618138425 visualization 0.3201073985680191 protein 0.18108591885441527 between 0.13096658711217185 novel 0.12231503579952267 interaction 0.11992840095465394 activity 0.1178400954653938 promising 0.09844868735083533 silico 0.09397374701670644 therapeutic 0.0733890214797136 vitro 0.06533412887828162 drug 0.06414081145584725 stability 0.056384248210023864 compound 0.046241050119331745 inhibition 0.045346062052505964 strong 0.03967780429594272 including 0.032219570405727926 synthesized 0.019689737470167064 development 0.011933174224343675 potent 8.949880668257757E-4 treatment 0.0
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