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Application

Discovery Studio 1.0 Materials Studio 0.9885709222999911 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06862860506180106 Amorphous Cell 0.2736904061212478 Blends 0.0027074749852854622 CASTEP 0.39529134785167747 CDOCKER 0.17516185991759858 CHARMm 0.2643908181283108 COMPASS 0.37010005885815184 COMPASS III 0.07404355503237198 COSMObase 0.0028251912889935256 COSMOconf 0.0036492054149499706 COSMOmic 2.3543260741612713E-4 COSMOperm 9.417304296645085E-4 COSMOplex 3.531489111241907E-4 COSMOquick 0.0017657445556209534 COSMOtherm 0.060859329017068864 Cantera 0.0 Catalyst 0.11030017657445557 Classical Simulations 1.0 Conformers 0.0011771630370806356 Crystallization 0.07698646262507357 DFTB Plus 0.004355503237198352 DMol3 0.18210712183637434 DPD 0.0027074749852854622 Discover 0.0050618010594467334 Forcite 0.5305473808122425 GULP 0.02401412595644497 Kinetix 1.1771630370806356E-4 LUDI 0.0063566804002354324 LibDock 0.06992348440258976 LigandFit 0.007886992348440258 MCSS 0.0015303119482048264 MODELER 0.20353148911124191 MesoDyn 0.0012948793407886992 Mesocite 0.004120070629782225 Mesoscale 0.007180694526191878 Morphology 0.01718658034137728 ONETEP 0.0015303119482048264 Polymorph 0.00164802825191289 QMERA 2.3543260741612713E-4 QSAR 0.0011771630370806356 Quantum Mechanics 0.5658622719246615 Reflex 0.05768098881695115 Reflex Plus 4.7086521483225425E-4 Semi-empirical 0.0063566804002354324 Sorption 0.05438493231312537 Synthia 5.885815185403178E-4 TURBOMOLE 4.7086521483225425E-4 VAMP 0.0015303119482048264 Visualization 0.8386109476162449 X-Cell 0.0014125956444967628 ZDOCK 0.03072395526780459

Year

2020 0.030524220305242204 2021 0.19615129396151293 2022 0.22959522229595222 2023 0.40212342402123424 2024 0.8074319840743198 2025 1.0 2026 0.5161247511612476 2027 0.0

Keywords

target 1.0 potential 0.265565699046056 docking 0.21427838752692585 visualization 0.2035080521079085 analysis 0.18278797825417992 between 0.15047697199712792 novel 0.09816391424761514 energy 0.08062365370807262 binding 0.07313570622627961 cell 0.057134065032311006 activity 0.04897938250076931 promising 0.04841522207405888 interaction 0.03513180839060417 stability 0.028772181762232025 experimental 0.023079290183608575 synthesized 0.02200225664170684 mechanism 0.01851471945840599 effective 0.01825828290081034 protein 0.016668376243717305 performance 0.015488768078777311 development 0.013950148733203405 including 0.010206174992306903 synthesis 0.00933429069648169 design 0.0022566417068417273 chemical 0.0
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