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Application

Discovery Studio 1.0 Materials Studio 0.9830004951312098 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06762957947792071 Amorphous Cell 0.27631084029188296 Blends 0.002708192281651997 CASTEP 0.4173625216279245 CDOCKER 0.1780636425186188 CHARMm 0.2596855487850748 COMPASS 0.37184984578349506 COMPASS III 0.07349732942150004 COSMObase 0.0028586474084104415 COSMOconf 0.0033100127886857744 COSMOmic 2.2568269013766644E-4 COSMOperm 0.0012788685774467764 COSMOplex 3.0091025351688857E-4 COSMOquick 0.0014293237042052208 COSMOtherm 0.06341683592868427 Cantera 7.522756337922214E-5 Catalyst 0.12299706612502821 Classical Simulations 1.0 Conformers 0.0012788685774467764 Crystallization 0.07628074926653125 DFTB Plus 0.006093432633716994 DMol3 0.19100278341984503 DPD 0.002933874971789664 Discover 0.004965019183028662 Forcite 0.5318588730911006 GULP 0.026705784999623863 Kinetix 2.2568269013766644E-4 LUDI 0.005792522380200105 LibDock 0.07146618521026105 LigandFit 0.007447528774542992 MCSS 0.0013540961408259986 MODELER 0.19100278341984503 MesoDyn 0.0017302339577221094 Mesocite 0.004137515985857218 Mesoscale 0.007748439028059881 Modules 0.0 Morphology 0.017753704957496428 ONETEP 0.0011284134506883321 Polymorph 0.0019559166478597756 QMERA 2.2568269013766644E-4 QSAR 0.001504551267584443 Quantum Mechanics 0.5956518468366809 Reflex 0.056194989844278946 Reflex Plus 6.770480704129993E-4 Semi-empirical 0.008275031971714437 Sorption 0.0546904385766945 Synthia 0.0014293237042052208 TURBOMOLE 5.26592943654555E-4 VAMP 0.0018054615211013315 Visualization 0.8883622959452343 X-Cell 0.0011284134506883321 ZDOCK 0.03046716316858497

Year

2020 0.019504301166851205 2021 0.2030491440252108 2022 0.29401243505663915 2023 0.43224597564091644 2024 1.0 2025 0.974022655651137 2026 0.3620645600885785 2027 0.0

Keywords

target 1.0 potential 0.2599823655372213 docking 0.21416425242473863 visualization 0.21227484569845068 analysis 0.1778561531679053 between 0.15086912709409245 novel 0.09862703111223076 energy 0.08146492001511525 binding 0.06839652349162363 cell 0.055989419322332784 activity 0.05136037284292732 promising 0.04197631943569719 interaction 0.03898475878574128 experimental 0.02812067010958559 synthesized 0.027648318428013605 stability 0.024782718226476885 protein 0.01835873535709787 mechanism 0.016595289079229122 effective 0.014989293361884369 development 0.014642902128731579 performance 0.013918629550321198 synthesis 0.012092203048242852 including 0.006392492757274216 chemical 0.0030545408741655122 design 0.0
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