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Application

Discovery Studio 1.0 Materials Studio 0.9971586769634271 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06698104128572803 Amorphous Cell 0.27600808391877585 Blends 0.002694639591954576 CASTEP 0.3953421229910499 CDOCKER 0.17399672793763835 CHARMm 0.2619574631892984 COMPASS 0.3682994899432201 COMPASS III 0.0782407852949668 COSMObase 0.002983350976806852 COSMOconf 0.003560773746511404 COSMOmic 2.88711384852276E-4 COSMOperm 8.66134154556828E-4 COSMOplex 2.88711384852276E-4 COSMOquick 0.001732268309113656 COSMOtherm 0.0625541333846598 Cantera 0.0 Catalyst 0.10971032624386488 Classical Simulations 1.0 Conformers 0.001058608411125012 Crystallization 0.07612356847271677 DFTB Plus 0.0047156192859205085 DMol3 0.18111827543066114 DPD 0.002694639591954576 Discover 0.0045231450293523245 Forcite 0.5327687421807333 GULP 0.023963044942738907 Kinetix 1.92474256568184E-4 LUDI 0.0054855163121932445 LibDock 0.06929073236454625 LigandFit 0.007506496006159176 MCSS 0.001251082667693196 MODELER 0.20979693965932056 MesoDyn 0.001154845539409104 Mesocite 0.003753248003079588 Mesoscale 0.00673659897988644 Modules 0.0 Morphology 0.017515157347704743 ONETEP 0.001539794052545472 Polymorph 0.001732268309113656 QMERA 1.92474256568184E-4 QSAR 0.001154845539409104 Quantum Mechanics 0.5651044172841883 Reflex 0.056491194302762004 Reflex Plus 7.69897026272736E-4 Semi-empirical 0.0066403618516023485 Sorption 0.0553363487633529 Synthia 7.69897026272736E-4 TURBOMOLE 4.8118564142046E-4 VAMP 0.001539794052545472 Visualization 0.8335097680685208 X-Cell 0.001347319795977288 ZDOCK 0.02973727263978443

Year

2020 0.04440479730399445 2021 0.14917236594310634 2022 0.17157300029735356 2023 0.31668153434433544 2024 0.8062246010506492 2025 1.0 2026 0.4212508672811973 2027 0.0

Keywords

target 1.0 potential 0.26690776073492123 docking 0.21257845949203974 visualization 0.2003990522509041 analysis 0.1836471713014923 between 0.15234651037120173 novel 0.09922267946959305 energy 0.08288647794820635 binding 0.06966787213700794 cell 0.05898491083676269 promising 0.051668952903520804 activity 0.05146111318950825 interaction 0.03433512075487384 stability 0.030219894417425282 experimental 0.025605852766346592 synthesized 0.02552271688074157 performance 0.02086710728686037 mechanism 0.0194122292887725 effective 0.018456166604314754 protein 0.01637776946418922 development 0.01579581826495407 synthesis 0.01064139335744274 including 0.010516689529035207 design 0.001538013883692896 chemical 0.0
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