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Application

Discovery Studio 1.0 Materials Studio 0.6373355263157895 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.10051546391752578 Amorphous Cell 0.11211340206185567 CASTEP 0.28350515463917525 CDOCKER 0.17396907216494845 CHARMm 0.2693298969072165 COMPASS 0.20747422680412372 COMPASS III 0.04381443298969072 COSMOperm 0.0 COSMOtherm 0.020618556701030927 Catalyst 0.27835051546391754 Classical Simulations 0.7564432989690721 Crystallization 0.1018041237113402 DFTB Plus 0.001288659793814433 DMol3 0.1172680412371134 DPD 0.0 Forcite 0.33634020618556704 GULP 0.006443298969072165 LUDI 0.001288659793814433 LibDock 0.05412371134020619 MCSS 0.001288659793814433 MODELER 0.1056701030927835 MesoDyn 0.0 Mesocite 0.0 Mesoscale 0.002577319587628866 Morphology 0.011597938144329897 QSAR 0.0 Quantum Mechanics 0.4007731958762887 Reflex 0.09149484536082474 Semi-empirical 0.002577319587628866 Sorption 0.03865979381443299 TURBOMOLE 0.0 VAMP 0.0 Visualization 1.0 X-Cell 0.002577319587628866 ZDOCK 0.005154639175257732

Year

2022 0.03836317135549872 2023 0.5294117647058824 2024 0.7084398976982097 2025 1.0 2026 0.3273657289002558 2027 0.0

Keywords

synthesized 1.0 target 0.9537304800462695 docking 0.3823019086176981 synthesis 0.357432041642568 potential 0.30537883169462116 novel 0.2851359167148641 visualization 0.2666281087333719 compound 0.19144013880855987 analysis 0.1700404858299595 activity 0.14227877385772122 promising 0.10931174089068826 binding 0.108155002891845 between 0.07692307692307693 design 0.06651243493348756 vitro 0.06593406593406594 inhibition 0.06419895893580103 designed 0.059572006940427996 potent 0.05668016194331984 effective 0.026604973973395025 active 0.022556390977443608 experimental 0.01850780798149219 silico 0.0167727009832273 cell 0.004048582995951417 development 0.001735106998264893 energy 0.0
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