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Application

Discovery Studio 1.0 Materials Studio 0.9310761789600968 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07114624505928854 Amorphous Cell 0.21431708388230128 Blends 0.003952569169960474 CASTEP 0.4888010540184453 CDOCKER 0.19543258673693456 CHARMm 0.24330259112867808 COMPASS 0.35660957400087834 COMPASS III 0.010540184453227932 COSMObase 4.391743522178305E-4 COSMOconf 4.391743522178305E-4 COSMOmic 0.0 COSMOperm 0.0013175230566534915 COSMOquick 8.78348704435661E-4 COSMOtherm 0.0764163372859025 Catalyst 0.16337285902503293 Classical Simulations 0.8972332015810277 Conformers 0.0013175230566534915 Crystallization 0.07509881422924901 DFTB Plus 0.007465963987703118 DMol3 0.2450592885375494 DPD 0.006148440931049627 Discover 0.015810276679841896 Forcite 0.41282389108476064 GULP 0.03557312252964427 LUDI 0.00834431269213878 LibDock 0.07905138339920949 LigandFit 0.00922266139657444 MCSS 0.002635046113306983 MODELER 0.10057092665788318 MesoDyn 8.78348704435661E-4 Mesocite 0.007465963987703118 Mesoscale 0.011857707509881422 Morphology 0.016249451032059728 ONETEP 0.002635046113306983 Polymorph 0.0030742204655248135 QMERA 0.0 QSAR 0.002635046113306983 Quantum Mechanics 0.720245937637242 Reflex 0.05489679402722881 Reflex Plus 0.001756697408871322 Semi-empirical 0.012736056214317084 Sorption 0.03689064558629776 Synthia 4.391743522178305E-4 TURBOMOLE 0.0 VAMP 0.004391743522178305 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03908651734738691

Year

2022 0.0

Keywords

target 1.0 visualization 0.24180675836304977 docking 0.20784513499745289 potential 0.1794871794871795 between 0.15044999150959415 analysis 0.12277126846663271 novel 0.08082866361012056 energy 0.07437595517065716 binding 0.06486670062829003 activity 0.059942265240278486 interaction 0.054168789268127016 experimental 0.05230089998301919 cell 0.039395483104092376 synthesized 0.032093734080489045 protein 0.026999490575649515 well 0.026320258108337578 synthesis 0.024282560706401765 mechanism 0.023773136355917813 chemical 0.021226014603498048 design 0.005094243504839531 compound 0.004924435388011547 drug 0.003565970453387672 higher 0.003226354219731703 promising 0.0023773136355917813 surface 0.0
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