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Application

Discovery Studio 1.0 Materials Studio 0.4311630218687873 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05066179826563213 Amorphous Cell 0.1259698767685988 Blends 4.5641259698767686E-4 CASTEP 0.2952989502510269 CDOCKER 0.23048836147877683 CHARMm 0.3879507074395253 COMPASS 0.1894112277498859 COMPASS III 0.051574623459607484 COSMObase 0.003651300775901415 COSMOconf 0.004107713372889092 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.056138749429484255 Catalyst 0.1259698767685988 Classical Simulations 0.7886809675947056 Crystallization 0.035600182565038795 DFTB Plus 0.0018256503879507074 DMol3 0.12003651300775901 DPD 4.5641259698767686E-4 Discover 0.0027384755819260614 Forcite 0.2692834322227293 GULP 0.012779552715654952 Kinetix 4.5641259698767686E-4 LUDI 0.005476951163852123 LibDock 0.10497489730716568 LigandFit 0.005020538566864446 MCSS 4.5641259698767686E-4 MODELER 0.34139662254678227 Mesocite 4.5641259698767686E-4 Mesoscale 0.0013692377909630307 Morphology 0.007759014148790507 ONETEP 0.0 Polymorph 0.0013692377909630307 QMERA 0.0 QSAR 4.5641259698767686E-4 Quantum Mechanics 0.40712003651300777 Reflex 0.02601551802829758 Semi-empirical 0.003194888178913738 Sorption 0.0314924691921497 TURBOMOLE 4.5641259698767686E-4 VAMP 4.5641259698767686E-4 Visualization 1.0 X-Cell 0.0013692377909630307 ZDOCK 0.03423094477407576

Year

2023 0.003965832824893227 2024 0.6098230628431971 2025 1.0 2026 0.25747406955460644 2027 0.0

Keywords

potential 1.0 target 0.9480314960629921 docking 0.38366141732283465 analysis 0.29192913385826774 visualization 0.22539370078740156 binding 0.1437007874015748 promising 0.13661417322834646 novel 0.12637795275590552 between 0.09586614173228346 therapeutic 0.09114173228346456 activity 0.08110236220472442 protein 0.0562992125984252 including 0.046850393700787404 stability 0.04468503937007874 silico 0.03858267716535433 vitro 0.03740157480314961 strong 0.024015748031496063 development 0.023031496062992127 treatment 0.02066929133858268 inhibition 0.016141732283464567 drug 0.015551181102362205 effective 0.014763779527559055 compound 0.012204724409448819 interaction 0.008464566929133858 energy 0.0
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