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Application

Discovery Studio 1.0 Materials Studio 0.9212899431484023 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0664051934000541 Amorphous Cell 0.27062483094400863 Blends 0.0021639166892074655 CASTEP 0.37543954557749526 CDOCKER 0.1817690018934271 CHARMm 0.2781985393562348 COMPASS 0.35650527454692993 COMPASS III 0.07587232891533675 COSMObase 0.0029753854476602653 COSMOconf 0.003922098999188531 COSMOmic 2.704895861509332E-4 COSMOperm 0.0010819583446037328 COSMOplex 2.704895861509332E-4 COSMOquick 0.001352447930754666 COSMOtherm 0.059913443332431704 Cantera 0.0 Catalyst 0.12009737625101434 Classical Simulations 1.0 Conformers 0.0012172031376791995 Crystallization 0.07465512577765757 DFTB Plus 0.004057343792263998 DMol3 0.17013794968893697 DPD 0.002434406275358399 Discover 0.004327833378414931 Forcite 0.5210981877197728 GULP 0.022450635650527455 Kinetix 1.352447930754666E-4 LUDI 0.00635650527454693 LibDock 0.07343792263997836 LigandFit 0.007032729239924263 MCSS 0.0012172031376791995 MODELER 0.20841222612929403 MesoDyn 0.001352447930754666 Mesocite 0.004192588585339464 Mesoscale 0.007167974032999729 Morphology 0.016770354341357856 ONETEP 9.467135515282662E-4 Polymorph 0.0016229375169055991 QMERA 1.352447930754666E-4 QSAR 9.467135515282662E-4 Quantum Mechanics 0.534487422234244 Reflex 0.055720854747092236 Reflex Plus 2.704895861509332E-4 Semi-empirical 0.005950770895320531 Sorption 0.053421693264809306 Synthia 5.409791723018664E-4 TURBOMOLE 5.409791723018664E-4 VAMP 0.0014876927238301326 Visualization 0.85799296727076 X-Cell 0.001352447930754666 ZDOCK 0.031106302407357317

Year

2021 0.0846331208463312 2022 0.22907907229079072 2023 0.2933676929336769 2024 0.7482707174827071 2025 1.0 2026 0.48135087481350874 2027 0.0

Keywords

target 1.0 potential 0.285889642272621 docking 0.23491933598316578 visualization 0.21416880991349077 analysis 0.19686696282440963 between 0.1513911620294599 novel 0.10632452653729249 binding 0.08563245265372925 energy 0.08002104278700023 cell 0.06119943885901333 activity 0.05950432546177227 promising 0.057750759878419454 interaction 0.041033434650455926 stability 0.03729249473930325 synthesized 0.028758475566986207 protein 0.025718961889174656 experimental 0.024783726911386486 effective 0.024549918166939442 mechanism 0.023731587561374796 performance 0.02127659574468085 including 0.02010755202244564 development 0.019113864858545708 synthesis 0.01712649053074585 design 0.005845218611176058 compound 0.0
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