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Application

Discovery Studio 1.0 Materials Studio 0.02332924048412559 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.003639973527465255 Amorphous Cell 0.010919920582395765 Antibody 0.0 Blends 0.0 CASTEP 0.004963600264725348 CDOCKER 0.22236929185969556 CHARMm 0.3689609530112508 COMPASS 0.011250827266710787 COMPASS III 0.0016545334215751159 COSMObase 0.0 COSMOconf 3.3090668431502316E-4 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.005625413633355393 Catalyst 0.13964262078093978 Classical Simulations 0.39741892786234284 Conformers 0.0 Crystallization 0.0033090668431502318 DFTB Plus 6.618133686300463E-4 DMol3 0.009927200529450696 DPD 6.618133686300463E-4 Forcite 0.019523494374586368 GULP 6.618133686300463E-4 LUDI 0.009596293845135672 LibDock 0.09397749834546658 LigandFit 0.00827266710787558 MCSS 0.0016545334215751159 MODELER 0.3070814030443415 Mesocite 6.618133686300463E-4 Mesoscale 9.927200529450694E-4 Polymorph 0.0 Quantum Mechanics 0.015221707478491065 Reflex 0.0029781601588352085 Semi-empirical 6.618133686300463E-4 Sorption 6.618133686300463E-4 Visualization 1.0 X-Cell 0.0 ZDOCK 0.06386499007279947

Year

2019 0.0 2020 0.18882466281310212 2021 0.3500321130378934 2022 0.6236351958895312 2023 0.8728323699421965 2024 1.0 2025 0.6878612716763006 2026 0.012202954399486191

Keywords

protein 1.0 target 0.9683388157894737 docking 0.5682565789473685 visualization 0.4140625 potential 0.4134457236842105 binding 0.32319078947368424 analysis 0.29708059210526316 activity 0.13342927631578946 novel 0.12849506578947367 interaction 0.11328125 drug 0.10916940789473684 between 0.10423519736842106 silico 0.09806743421052631 treatment 0.05879934210526316 vitro 0.05797697368421053 therapeutic 0.05139802631578947 compound 0.03638980263157895 stability 0.035567434210526314 development 0.02631578947368421 role 0.026110197368421052 inhibition 0.020148026315789474 promising 0.020148026315789474 binding affinity 0.009251644736842105 including 2.0559210526315788E-4 complex 0.0
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