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Application

Discovery Studio 1.0 Materials Studio 0.9334546150900038 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0638188368502316 Amorphous Cell 0.27521873391662377 Blends 0.0019300051466803912 CASTEP 0.36425630468347914 CDOCKER 0.17588780236747298 CHARMm 0.27779207411219764 COMPASS 0.3457282552753474 COMPASS III 0.08775090066906845 COSMObase 0.003474009264024704 COSMOconf 0.004889346371590325 COSMOmic 1.2866700977869275E-4 COSMOperm 0.0014153371075656203 COSMOplex 1.2866700977869275E-4 COSMOquick 0.001544004117344313 COSMOtherm 0.06420483787956768 Cantera 0.0 Catalyst 0.12081832218219249 Classical Simulations 1.0 Conformers 6.433350488934637E-4 Crystallization 0.07153885743695317 DFTB Plus 0.005404014410705095 DMol3 0.16199176531137416 DPD 0.0028306742151312406 Discover 0.0033453422542460112 Forcite 0.5232887287699434 GULP 0.021358723623262996 Kinetix 1.2866700977869275E-4 LUDI 0.004503345342254246 LibDock 0.07321152856407617 LigandFit 0.0051466803911477095 MCSS 6.433350488934637E-4 MODELER 0.21937725167267114 MesoDyn 9.006690684508493E-4 Mesocite 0.0028306742151312406 Mesoscale 0.006047349459598559 Modules 0.0 Morphology 0.01788471435923829 ONETEP 0.0011580030880082347 Polymorph 0.0016726711271230056 QMERA 0.0 QSAR 0.001029336078229542 Quantum Mechanics 0.5164693772516726 Reflex 0.05120946989191971 Reflex Plus 0.001029336078229542 Semi-empirical 0.007076685537828101 Sorption 0.05622748327328873 Synthia 0.0012866700977869274 TURBOMOLE 5.14668039114771E-4 VAMP 0.0014153371075656203 Visualization 0.8268142048378796 X-Cell 0.0014153371075656203 ZDOCK 0.029207411219763252

Year

2022 0.015464933018124507 2023 0.25295508274231676 2024 0.5245271867612293 2025 1.0 2026 0.34456264775413714 2027 0.0

Keywords

target 1.0 potential 0.27974395598582236 docking 0.22102311802359415 visualization 0.191980108977411 analysis 0.1887002063164577 between 0.14325768396550811 novel 0.10204729408030472 binding 0.07781833571390785 energy 0.0773422208115114 promising 0.06559805321906576 cell 0.060519494260170344 activity 0.05872083796222822 stability 0.03629053589377348 interaction 0.03306353488864201 synthesized 0.03163519018145268 performance 0.0262392212876263 experimental 0.02422895836639687 protein 0.023911548431465906 including 0.022218695445167434 development 0.022059990477701952 effective 0.021848383854414642 mechanism 0.020737449082156273 synthesis 0.017087234830450194 design 0.004179230809924351 compound 0.0
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