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Application

Discovery Studio 1.0 Materials Studio 0.568685376661743 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07076101468624833 Amorphous Cell 0.23230974632843793 Blends 0.0026702269692923898 CASTEP 0.3177570093457944 CDOCKER 0.2082777036048064 CHARMm 0.376502002670227 COMPASS 0.3030707610146863 COMPASS III 0.09345794392523364 COSMObase 0.004005340453938585 COSMOconf 0.0026702269692923898 COSMOmic 0.0 COSMOperm 0.0 COSMOquick 0.0013351134846461949 COSMOtherm 0.07343124165554073 Catalyst 0.1321762349799733 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.049399198931909215 DFTB Plus 0.00801068090787717 DMol3 0.11882510013351134 DPD 0.0 Discover 0.0 Forcite 0.4445927903871829 GULP 0.021361815754339118 LUDI 0.00801068090787717 LibDock 0.09746328437917223 LigandFit 0.0053404539385847796 MCSS 0.0 MODELER 0.38317757009345793 Mesocite 0.0053404539385847796 Mesoscale 0.0053404539385847796 Morphology 0.010680907877169559 ONETEP 0.0013351134846461949 Polymorph 0.0013351134846461949 QSAR 0.0013351134846461949 Quantum Mechanics 0.43124165554072097 Reflex 0.03471295060080107 Semi-empirical 0.00801068090787717 Sorption 0.036048064085447265 Synthia 0.0 Visualization 0.9986648865153538 X-Cell 0.0 ZDOCK 0.0267022696929239

Year

2023 0.08380338436744561 2024 0.40692989524576956 2025 1.0 2026 0.36180499597099114 2027 0.0

Keywords

including 1.0 target 0.9306418219461697 potential 0.4358178053830228 docking 0.3416149068322981 analysis 0.3110766045548654 visualization 0.20082815734989648 binding 0.14648033126293997 promising 0.11956521739130435 novel 0.10921325051759834 between 0.10041407867494824 therapeutic 0.08126293995859213 activity 0.06884057971014493 protein 0.046583850931677016 energy 0.03881987577639751 strong 0.03778467908902691 interaction 0.03467908902691511 stability 0.03364389233954451 development 0.024844720496894408 silico 0.019151138716356108 cell 0.016563146997929608 effective 0.009316770186335404 treatment 0.008799171842650104 experimental 0.004658385093167702 inhibition 0.0036231884057971015 compound 0.0
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