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Application

Discovery Studio 0.9269907649416275 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06693050867186591 Amorphous Cell 0.2791293213828425 Blends 0.002560819462227913 CASTEP 0.40135025026190196 CDOCKER 0.16459085089046677 CHARMm 0.248632289605401 COMPASS 0.375276452101036 COMPASS III 0.07961820509835875 COSMObase 0.0034920265394016996 COSMOconf 0.003259224770108253 COSMOmic 2.3280176929344664E-4 COSMOperm 0.0011640088464672331 COSMOplex 3.492026539401699E-4 COSMOquick 0.0016296123850541265 COSMOtherm 0.06308927947852404 Cantera 0.0 Catalyst 0.10324758468164358 Classical Simulations 1.0 Conformers 0.0011640088464672331 Crystallization 0.07682458386683738 DFTB Plus 0.00523803980910255 DMol3 0.18950064020486557 DPD 0.0026772203468746363 Discover 0.005121638924455826 Forcite 0.5366080782213944 GULP 0.02770341054592015 Kinetix 1.1640088464672332E-4 LUDI 0.004423233616575486 LibDock 0.0678617157490397 LigandFit 0.006402048655569782 MCSS 9.312070771737865E-4 MODELER 0.1886858340123385 MesoDyn 0.0016296123850541265 Mesocite 0.003957630077988592 Mesoscale 0.007333255732743569 Modules 0.0 Morphology 0.01780933535094867 ONETEP 0.0010476079618205098 Polymorph 0.001978815038994296 QMERA 2.3280176929344664E-4 QSAR 0.0012804097311139564 Quantum Mechanics 0.5774647887323944 Reflex 0.0569200325922477 Reflex Plus 8.148061925270633E-4 Semi-empirical 0.007333255732743569 Sorption 0.0569200325922477 Synthia 0.0013968106157606797 TURBOMOLE 3.492026539401699E-4 VAMP 0.0016296123850541265 Visualization 0.7944360377138866 X-Cell 0.0011640088464672331 ZDOCK 0.02770341054592015

Year

2020 0.0 2021 0.14496314496314497 2022 0.2233285917496444 2023 0.39299107720160353 2024 0.79154273891116 2025 1.0 2026 0.5236001551791025 2027 0.00129315918789603

Keywords

target 1.0 potential 0.2641509433962264 docking 0.20272651876425463 visualization 0.19308521667012232 analysis 0.1814741861911673 between 0.15426083350611652 novel 0.0965166908563135 energy 0.08941530167945262 binding 0.06458635703918723 cell 0.05940286128965374 promising 0.0511611030478955 activity 0.043023014721127927 interaction 0.035610615799295045 stability 0.03032345013477089 experimental 0.027265187642546134 performance 0.025243624300228074 synthesized 0.022029856935517313 mechanism 0.01752021563342318 effective 0.01632801161103048 development 0.015705992121086462 protein 0.012025710138917687 including 0.010729836201534315 synthesis 0.005494505494505495 design 0.00171055359734605 chemical 0.0
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