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Application

Discovery Studio 1.0 Materials Studio 0.14443155452436196 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.013903743315508022 Amorphous Cell 0.026737967914438502 CASTEP 0.07807486631016043 CDOCKER 0.25668449197860965 CHARMm 0.35294117647058826 COMPASS 0.04171122994652406 COMPASS III 0.017112299465240642 COSMObase 0.0021390374331550803 COSMOconf 0.0021390374331550803 COSMOtherm 0.02459893048128342 Catalyst 0.1497326203208556 Classical Simulations 0.453475935828877 Conformers 0.0 Crystallization 0.020320855614973262 DMol3 0.08983957219251337 DPD 0.0 Forcite 0.07272727272727272 GULP 0.0010695187165775401 LUDI 0.0032085561497326204 LibDock 0.10909090909090909 LigandFit 0.0032085561497326204 MCSS 0.0010695187165775401 MODELER 0.27593582887700535 Mesocite 0.0 Mesoscale 0.0 Morphology 0.0010695187165775401 QMERA 0.0 Quantum Mechanics 0.16363636363636364 Reflex 0.01818181818181818 Semi-empirical 0.0 Sorption 0.0042780748663101605 Visualization 1.0 ZDOCK 0.03208556149732621

Year

2022 0.0 2023 0.5592105263157895 2024 0.9763157894736842 2025 1.0 2026 0.15263157894736842

Keywords

activity 1.0 target 0.9581839904420549 docking 0.492831541218638 potential 0.3984468339307049 visualization 0.33811230585424135 analysis 0.23835125448028674 binding 0.15710872162485065 novel 0.14635603345280765 vitro 0.1039426523297491 compound 0.09976105137395459 inhibition 0.0937873357228196 promising 0.09259259259259259 synthesized 0.07108721624850657 silico 0.06810035842293907 protein 0.06630824372759857 synthesis 0.06332138590203107 between 0.026284348864994027 treatment 0.025686977299880526 potent 0.023297491039426525 development 0.013739545997610514 therapeutic 0.013739545997610514 drug 0.005973715651135006 effective 0.005973715651135006 including 0.0047789725209080045 active 0.0
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