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Application

Discovery Studio 1.0 Materials Studio 0.9157332932421258 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06546559128522049 Amorphous Cell 0.2736985440452498 Blends 0.0023043888132397612 CASTEP 0.38116685869906775 CDOCKER 0.1792186027024196 CHARMm 0.27579344296637687 COMPASS 0.3548758772389232 COMPASS III 0.08065360846339165 COSMObase 0.003456583219859642 COSMOconf 0.004294542788310464 COSMOmic 1.0474494605635278E-4 COSMOperm 0.0013616842987325861 COSMOplex 3.1423483816905834E-4 COSMOquick 0.001466429244788939 COSMOtherm 0.06410390698648791 Cantera 0.0 Catalyst 0.1357494500890332 Classical Simulations 1.0 Conformers 7.332146223944694E-4 Crystallization 0.07248350267099612 DFTB Plus 0.005970461925212108 DMol3 0.1714674766942495 DPD 0.0030376034356342308 Discover 0.0035613281659159944 Forcite 0.5212108515764114 GULP 0.023986592646904788 Kinetix 2.0948989211270555E-4 LUDI 0.0046087776264795224 LibDock 0.07499738137634859 LigandFit 0.005970461925212108 MCSS 7.332146223944694E-4 MODELER 0.19199748612129464 MesoDyn 0.0012569393526762334 Mesocite 0.0037708180580287 Mesoscale 0.007122656331831989 Modules 0.0 Morphology 0.01770189588352362 ONETEP 0.0011521944066198806 Polymorph 0.0017806640829579972 QMERA 1.0474494605635278E-4 QSAR 0.0011521944066198806 Quantum Mechanics 0.5417408610034565 Reflex 0.05237247302817639 Reflex Plus 8.379595684508222E-4 Semi-empirical 0.00796061590028281 Sorption 0.05478160678747251 Synthia 0.0016759191369016444 TURBOMOLE 5.237247302817639E-4 VAMP 0.0016759191369016444 Visualization 0.8843615795537866 X-Cell 0.0013616842987325861 ZDOCK 0.03131873887084948

Year

2021 0.0 2022 0.13832428952451026 2023 0.3734020049664306 2024 0.6830681504644532 2025 1.0 2026 0.3224501057665778 2027 7.357674974707993E-4

Keywords

target 1.0 potential 0.2689341256796055 docking 0.22164622581868756 visualization 0.20432418763434063 analysis 0.17869937202343322 between 0.1421165760525983 novel 0.10001264382349222 binding 0.07459855860412189 energy 0.07367134488135879 cell 0.056222868462089605 activity 0.056096430227167364 promising 0.05306191258903359 interaction 0.035276267543305095 synthesized 0.03160955873056012 stability 0.030050153833185822 protein 0.02520335482783327 experimental 0.023728242087073796 development 0.01976651072617693 effective 0.018164959750495216 synthesis 0.017448476419269186 performance 0.016858431322965398 mechanism 0.016816285244657985 including 0.015214734268976272 design 8.429215661482699E-4 compound 0.0
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