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Application

Discovery Studio 1.0 Materials Studio 0.9325284892248674 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.062356717102246675 Amorphous Cell 0.2699067705945285 Blends 0.002598196545926945 CASTEP 0.36619287788476235 CDOCKER 0.17606602475928473 CHARMm 0.27036527586733916 COMPASS 0.35228488460950635 COMPASS III 0.09170105456212746 COSMObase 0.003973712364358857 COSMOconf 0.004585052728106373 COSMOmic 1.528350909368791E-4 COSMOperm 0.001375515818431912 COSMOplex 3.056701818737582E-4 COSMOquick 0.0010698456365581537 COSMOtherm 0.06373223292067859 Catalyst 0.11676600947577563 Classical Simulations 1.0 Conformers 6.113403637475164E-4 Crystallization 0.07336084364970197 DFTB Plus 0.005654898364664527 DMol3 0.16552040348464006 DPD 0.0022925263640531865 Discover 0.0030567018187375823 Forcite 0.5226960110041265 GULP 0.02231392327678435 Kinetix 3.056701818737582E-4 LUDI 0.0035152070915482193 LibDock 0.07427785419532325 LigandFit 0.0050435580009170105 MCSS 0.0 MODELER 0.21030108512914567 MesoDyn 4.585052728106373E-4 Mesocite 0.0032095369096744614 Mesoscale 0.005807733455601406 Modules 0.0 Morphology 0.01711753018493046 ONETEP 9.170105456212746E-4 Polymorph 0.0024453614549900657 QMERA 1.528350909368791E-4 QSAR 7.641754546843956E-4 Quantum Mechanics 0.520861989912884 Reflex 0.05303377655509705 Reflex Plus 0.0010698456365581537 Semi-empirical 0.007336084364970197 Sorption 0.05823016964695094 Synthia 0.0019868561821794286 TURBOMOLE 3.056701818737582E-4 VAMP 0.0012226807274950328 Visualization 0.8483875897906159 X-Cell 0.0010698456365581537 ZDOCK 0.031178358551123338

Year

2022 0.08782356048600105 2023 0.27416798732171155 2024 0.5466191230850502 2025 1.0 2026 0.5169043845747491 2027 0.0

Keywords

target 1.0 potential 0.29652890329551596 docking 0.23960021609940574 visualization 0.2142085359265262 analysis 0.20705024311183146 between 0.1519448946515397 novel 0.1071042679632631 binding 0.0823878984332793 energy 0.08117233927606698 promising 0.07327120475418693 cell 0.06422204213938412 activity 0.06341166936790923 stability 0.04254457050243112 interaction 0.03403565640194489 synthesized 0.03396812533765532 performance 0.028768233387358184 experimental 0.02674230145867099 development 0.02593192868719611 effective 0.023028092922744464 protein 0.022690437601296597 including 0.021609940572663425 mechanism 0.020529443544030253 synthesis 0.014586709886547812 design 0.0042544570502431114 silico 0.0
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