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Application

Discovery Studio 0.995849683066707 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06766100355590676 Amorphous Cell 0.27815092848676415 Blends 0.002568154879494271 CASTEP 0.3898656657447649 CDOCKER 0.16959699723429475 CHARMm 0.2599762939549585 COMPASS 0.35924535756617937 COMPASS III 0.08316870802054524 COSMObase 0.0035559067562228367 COSMOconf 0.00404978269458712 COSMOmic 2.9632556301856976E-4 COSMOperm 0.001382852627419992 COSMOplex 2.9632556301856976E-4 COSMOquick 0.0014816278150928486 COSMOtherm 0.06222836823389964 Cantera 0.0 Catalyst 0.1208020545239036 Classical Simulations 1.0 Conformers 0.0010865270644014225 Crystallization 0.07299486369024101 DFTB Plus 0.005333860134334255 DMol3 0.174930857368629 DPD 0.0026669300671671274 Discover 0.00345713156854998 Forcite 0.5360529435005926 GULP 0.02419992097984986 Kinetix 2.9632556301856976E-4 LUDI 0.004642433820624259 LibDock 0.07042670881074674 LigandFit 0.005926511260371394 MCSS 7.902015013828526E-4 MODELER 0.18915448439352034 MesoDyn 0.0012840774397471354 Mesocite 0.0033583563808771235 Mesoscale 0.006716712761754247 Modules 0.0 Morphology 0.016890557092058476 ONETEP 0.0010865270644014225 Polymorph 0.001876728565784275 QMERA 1.9755037534571315E-4 QSAR 7.902015013828526E-4 Quantum Mechanics 0.5534373765310154 Reflex 0.053536151718688266 Reflex Plus 8.889766890557092E-4 Semi-empirical 0.00691426313709996 Sorption 0.05659818253654682 Synthia 0.001185302252074279 TURBOMOLE 5.926511260371395E-4 VAMP 0.001185302252074279 Visualization 0.8298103516396681 X-Cell 0.0012840774397471354 ZDOCK 0.028150928486764124

Year

2021 0.003021685033771774 2022 0.13330963384287237 2023 0.3258087451119801 2024 0.678634909349449 2025 1.0 2026 0.3777995023107003 2027 0.0

Keywords

target 1.0 potential 0.28053146973814763 docking 0.22112937319356368 visualization 0.20499547042836805 analysis 0.19364997195979466 between 0.15538587636426385 novel 0.10439584142185411 energy 0.08821879987921143 binding 0.07454380742849748 cell 0.06337086406971226 promising 0.0597472067641603 activity 0.05418230447349122 interaction 0.038091540485742634 stability 0.03696993227211941 synthesized 0.03075794831974462 performance 0.029420646218886157 experimental 0.028644148224839308 effective 0.022777274492040894 mechanism 0.021741943833311763 development 0.019973253957982832 protein 0.01906733963159484 including 0.01773003753073638 synthesis 0.012898494456667098 design 0.0026746042017169232 chemical 0.0
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