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Application

Discovery Studio 1.0 Materials Studio 0.963639719453673 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06894386537737034 Amorphous Cell 0.2697475825693834 Blends 0.003139520281301017 CASTEP 0.39583071706643225 CDOCKER 0.1799573025241743 CHARMm 0.2669848047218385 COMPASS 0.37008665075976394 COMPASS III 0.0694461886223785 COSMObase 0.002386035413788773 COSMOconf 0.0035162627150571394 COSMOmic 2.511616225040814E-4 COSMOperm 0.0010046464900163256 COSMOplex 3.7674243375612206E-4 COSMOquick 0.0017581313575285697 COSMOtherm 0.06052995102348361 Cantera 0.0 Catalyst 0.11377621499434887 Classical Simulations 1.0 Conformers 0.001632550546276529 Crystallization 0.07698103729750094 DFTB Plus 0.004018585960065302 DMol3 0.1835991460504835 DPD 0.002762777847544895 Discover 0.00539997488383775 Forcite 0.5291975386160994 GULP 0.02536732387291222 Kinetix 1.255808112520407E-4 LUDI 0.006530202185106116 LibDock 0.07170664322491524 LigandFit 0.008916237598894889 MCSS 0.001632550546276529 MODELER 0.2009292980032651 MesoDyn 0.0013813889237724475 Mesocite 0.004772070827577546 Mesoscale 0.007911591108878563 Morphology 0.017706894386537737 ONETEP 0.001632550546276529 Polymorph 0.0015069697350244883 QMERA 1.255808112520407E-4 QSAR 0.0012558081125204068 Quantum Mechanics 0.567876428481728 Reflex 0.05739043074218259 Reflex Plus 3.7674243375612206E-4 Semi-empirical 0.0059022981288459125 Sorption 0.05261835991460505 Synthia 3.7674243375612206E-4 TURBOMOLE 5.023232450081628E-4 VAMP 0.0015069697350244883 Visualization 0.8627401733015195 X-Cell 0.0013813889237724475 ZDOCK 0.03164636443551425

Year

2020 0.10070857832051862 2021 0.22900648273782603 2022 0.26111864917835065 2023 0.4994723352932308 2024 0.8863259460274385 2025 1.0 2026 0.4450474898236092 2027 0.0

Keywords

target 1.0 potential 0.2559880239520958 docking 0.21278870829769034 visualization 0.2069076133447391 analysis 0.173759623609923 between 0.1500213857998289 novel 0.09917664670658682 energy 0.07565226689478187 binding 0.07057313943541488 cell 0.05464071856287425 activity 0.05025662959794696 promising 0.04180923866552609 interaction 0.03779940119760479 stability 0.023257057313943542 synthesized 0.02256201881950385 experimental 0.022027373823781008 protein 0.018391787852865698 mechanism 0.017803678357570574 effective 0.01523738237810094 development 0.01283147989734816 synthesis 0.010051325919589392 performance 0.00989093242087254 including 0.005453378956372969 design 0.0012296834901625322 chemical 0.0
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