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Application

Discovery Studio 1.0 Materials Studio 0.6450719822812846 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.09042553191489362 Amorphous Cell 0.125 Blends 0.0 CASTEP 0.2624113475177305 CDOCKER 0.19414893617021275 CHARMm 0.2801418439716312 COMPASS 0.23847517730496454 COMPASS III 0.04698581560283688 COSMObase 0.0 COSMOconf 0.0 COSMOmic 0.0 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.025709219858156027 Catalyst 0.28191489361702127 Classical Simulations 0.8023049645390071 Crystallization 0.11081560283687943 DFTB Plus 0.0 DMol3 0.11702127659574468 DPD 0.0 Forcite 0.35904255319148937 GULP 0.008865248226950355 LUDI 0.0035460992907801418 LibDock 0.06294326241134751 LigandFit 8.865248226950354E-4 MCSS 8.865248226950354E-4 MODELER 0.12854609929078015 Mesocite 0.0 Mesoscale 8.865248226950354E-4 Morphology 0.015957446808510637 QSAR 8.865248226950354E-4 Quantum Mechanics 0.3803191489361702 Reflex 0.09308510638297872 Reflex Plus 0.0017730496453900709 Semi-empirical 0.0 Sorption 0.038120567375886524 TURBOMOLE 0.0 Visualization 1.0 X-Cell 0.004432624113475178 ZDOCK 0.004432624113475178

Year

2023 0.1843817787418655 2024 0.6456977584960232 2025 1.0 2026 0.3839479392624729 2027 0.0

Keywords

synthesized 1.0 target 0.9501352918438346 docking 0.3695400077309625 synthesis 0.3486664089679165 potential 0.3134905295709316 novel 0.28488596830305374 visualization 0.25086973328179357 compound 0.1778121376111326 analysis 0.1666022419791264 activity 0.1414766138384229 promising 0.12678778507924238 binding 0.10552763819095477 between 0.07421724004638577 design 0.06919211441824508 potent 0.06300734441437959 inhibition 0.062620796289138 vitro 0.0622342481638964 designed 0.04638577502899111 silico 0.031310398144569 effective 0.023579435639737148 experimental 0.017394665635871664 cell 0.015848473134905297 development 0.007730962504831852 drug 0.004252029377657518 strong 0.0
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