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Application

Discovery Studio 1.0 Materials Studio 0.9801334321719792 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06712530712530712 Amorphous Cell 0.275970515970516 Blends 0.0025552825552825555 CASTEP 0.38348894348894347 CDOCKER 0.16914004914004915 CHARMm 0.2619164619164619 COMPASS 0.35950859950859954 COMPASS III 0.08226044226044225 COSMObase 0.0035380835380835383 COSMOconf 0.004127764127764128 COSMOmic 9.828009828009828E-5 COSMOperm 0.0012776412776412777 COSMOplex 1.9656019656019656E-4 COSMOquick 0.0013759213759213758 COSMOtherm 0.06171990171990172 Cantera 0.0 Catalyst 0.1263882063882064 Classical Simulations 1.0 Conformers 7.862407862407862E-4 Crystallization 0.07488943488943489 DFTB Plus 0.005503685503685503 DMol3 0.17307125307125307 DPD 0.0025552825552825555 Discover 0.003243243243243243 Forcite 0.5314004914004914 GULP 0.023783783783783784 Kinetix 2.9484029484029485E-4 LUDI 0.004619164619164619 LibDock 0.07184275184275184 LigandFit 0.005798525798525798 MCSS 6.879606879606879E-4 MODELER 0.18673218673218672 MesoDyn 0.001081081081081081 Mesocite 0.003832923832923833 Mesoscale 0.006683046683046683 Modules 0.0 Morphology 0.018083538083538082 ONETEP 9.828009828009828E-4 Polymorph 0.0018673218673218672 QMERA 9.828009828009828E-5 QSAR 0.001081081081081081 Quantum Mechanics 0.5456511056511056 Reflex 0.054348894348894346 Reflex Plus 8.845208845208846E-4 Semi-empirical 0.007371007371007371 Sorption 0.05601965601965602 Synthia 0.0014742014742014742 TURBOMOLE 5.896805896805897E-4 VAMP 0.0015724815724815725 Visualization 0.8470761670761671 X-Cell 0.0012776412776412777 ZDOCK 0.029877149877149876

Year

2022 0.1160337552742616 2023 0.36700070323488043 2024 0.6578762306610408 2025 1.0 2026 0.3736814345991561 2027 0.0

Keywords

target 1.0 potential 0.2821071520123045 docking 0.22618132102879604 visualization 0.2108006494061352 analysis 0.19405280697257113 between 0.15320857899683843 novel 0.10296505169614628 energy 0.0854481756814492 binding 0.0753652909510382 cell 0.06271896095018371 promising 0.05866017260531488 activity 0.05588310689566778 interaction 0.037639921387678375 stability 0.037469025036315474 synthesized 0.03153037682645476 experimental 0.028838759292489104 performance 0.027087071691019395 protein 0.02221652567717679 effective 0.021020251217636503 development 0.020464838075707082 mechanism 0.020464838075707082 including 0.01726053148765274 synthesis 0.014227121250961292 design 0.0025207211826027516 chemical 0.0
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