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Application

Discovery Studio 1.0 Materials Studio 0.46416938110749184 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05555555555555555 Amorphous Cell 0.12490922294843863 Blends 3.6310820624546115E-4 CASTEP 0.3177196804647785 CDOCKER 0.21604938271604937 CHARMm 0.3663761801016703 COMPASS 0.18845315904139434 COMPASS III 0.04756717501815541 COSMObase 0.0032679738562091504 COSMOconf 0.0039941902687000725 COSMOperm 7.262164124909223E-4 COSMOquick 3.6310820624546115E-4 COSMOtherm 0.0570079883805374 Catalyst 0.1383442265795207 Classical Simulations 0.7745098039215687 Conformers 7.262164124909223E-4 Crystallization 0.03594771241830065 DFTB Plus 0.002904865649963689 DMol3 0.1299927378358751 DPD 7.262164124909223E-4 Discover 0.002904865649963689 Forcite 0.27450980392156865 GULP 0.015250544662309368 Kinetix 7.262164124909223E-4 LUDI 0.004720406681190995 LibDock 0.09767610748002904 LigandFit 0.005083514887436456 MCSS 3.6310820624546115E-4 MODELER 0.31263616557734203 Mesocite 3.6310820624546115E-4 Mesoscale 0.0014524328249818446 Morphology 0.007625272331154684 ONETEP 7.262164124909223E-4 Polymorph 0.0014524328249818446 QMERA 0.0 QSAR 7.262164124909223E-4 Quantum Mechanics 0.43899782135076254 Reflex 0.026506899055918662 Semi-empirical 0.0039941902687000725 Sorption 0.03340595497458242 Synthia 0.0 TURBOMOLE 3.6310820624546115E-4 VAMP 3.6310820624546115E-4 Visualization 1.0 X-Cell 0.0010893246187363835 ZDOCK 0.03195352214960058

Year

2023 0.13179916317991633 2024 0.6532426778242678 2025 1.0 2026 0.22071129707112971 2027 0.0

Keywords

potential 1.0 target 0.9407560355781448 docking 0.3656289707750953 analysis 0.27525412960609913 visualization 0.22109275730622618 binding 0.12341168996188055 promising 0.11769377382465057 novel 0.11404066073697586 between 0.0835451080050826 activity 0.0670266836086404 therapeutic 0.06543837357052097 protein 0.042566709021601014 including 0.033831003811944094 stability 0.032401524777636595 silico 0.026207115628970774 vitro 0.023506988564167726 drug 0.012229987293519696 development 0.011912325285895807 treatment 0.007306226175349428 strong 0.0049237611181702666 energy 0.004606099110546378 compound 0.004288437102922491 inhibition 0.0025412960609911056 effective 0.002064803049555273 interaction 0.0
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