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Application

Discovery Studio 1.0 Materials Studio 0.924185667752443 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06480859637340497 Amorphous Cell 0.2730020147750168 Blends 0.0024625027982986343 CASTEP 0.3767629281396911 CDOCKER 0.18233713901947615 CHARMm 0.2785986120438773 COMPASS 0.3487799417953884 COMPASS III 0.08238191179762704 COSMObase 0.003246026415939109 COSMOconf 0.004253413924334005 COSMOmic 2.2386389075442132E-4 COSMOperm 0.001343183344526528 COSMOplex 1.1193194537721066E-4 COSMOquick 0.001343183344526528 COSMOtherm 0.06167450190284307 Cantera 0.0 Catalyst 0.1279382135661518 Classical Simulations 1.0 Conformers 8.954555630176853E-4 Crystallization 0.07219610476830088 DFTB Plus 0.005484665323483322 DMol3 0.16767405417506157 DPD 0.002686366689053056 Discover 0.003246026415939109 Forcite 0.5246250279829864 GULP 0.023281844638459816 Kinetix 3.35795836131632E-4 LUDI 0.004813073651220058 LibDock 0.0746586075665995 LigandFit 0.0061562569957465865 MCSS 8.954555630176853E-4 MODELER 0.20024625027982987 MesoDyn 0.0010073875083948958 Mesocite 0.002910230579807477 Mesoscale 0.0061562569957465865 Modules 0.0 Morphology 0.01723751958809044 ONETEP 0.0011193194537721066 Polymorph 0.0016789791806581598 QMERA 1.1193194537721066E-4 QSAR 8.954555630176853E-4 Quantum Mechanics 0.5348108350123125 Reflex 0.05260801432728901 Reflex Plus 8.954555630176853E-4 Semi-empirical 0.007163644504141482 Sorption 0.05473472128945601 Synthia 0.0012312513991493172 TURBOMOLE 5.596597268860533E-4 VAMP 0.001343183344526528 Visualization 0.8569509738079247 X-Cell 0.001343183344526528 ZDOCK 0.03033355719722409

Year

2021 0.0 2022 0.10171892708726861 2023 0.32234605213449186 2024 0.6363808084624103 2025 1.0 2026 0.33112958065734793 2027 7.555723460521345E-4

Keywords

target 1.0 potential 0.27356175588475873 docking 0.2210760701626829 visualization 0.19926383713532672 analysis 0.18504044351540488 between 0.14141597746069254 novel 0.1024720530764337 binding 0.07725165863855313 energy 0.07484322457511587 promising 0.05812051258747614 cell 0.05798418613105517 activity 0.055984731436880854 interaction 0.03667181677724257 stability 0.032082159411069705 synthesized 0.030900663455421248 protein 0.024084340634372443 effective 0.022039443788057802 experimental 0.021812233027356177 performance 0.021630464418794876 development 0.019858220485322185 mechanism 0.01940379896391893 including 0.018176860856130145 synthesis 0.01713169135690266 design 0.002135781150595292 chemical 0.0
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