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Application

Discovery Studio 1.0 Materials Studio 0.9901124466847615 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06831760325569314 Amorphous Cell 0.2755216901896268 Blends 0.002684215083557018 CASTEP 0.4024590873668716 CDOCKER 0.1729154039310763 CHARMm 0.25984933760498746 COMPASS 0.3670447657805871 COMPASS III 0.07810200017317517 COSMObase 0.003203740583600312 COSMOconf 0.0037232660836436053 COSMOmic 2.597627500216469E-4 COSMOperm 0.0012988137501082344 COSMOplex 2.597627500216469E-4 COSMOquick 0.0014719889167893324 COSMOtherm 0.06208329725517361 Cantera 0.0 Catalyst 0.1252056455104338 Classical Simulations 1.0 Conformers 0.0010390510000865877 Crystallization 0.07611048575634254 DFTB Plus 0.005541605333795134 DMol3 0.18269980084855833 DPD 0.002857390250238116 Discover 0.0038098536669841543 Forcite 0.53311975062776 GULP 0.024937224002078102 Kinetix 2.597627500216469E-4 LUDI 0.00502207983375184 LibDock 0.0717811065893151 LigandFit 0.006580656333881722 MCSS 8.658758334054897E-4 MODELER 0.18339250151528272 MesoDyn 0.0013854013334487834 Mesocite 0.004069616417005801 Mesoscale 0.007359944583946662 Modules 0.0 Morphology 0.017490691834790892 ONETEP 0.0012122261667676854 Polymorph 0.0019049268334920772 QMERA 1.7317516668109793E-4 QSAR 0.0011256385834271364 Quantum Mechanics 0.5731232141310936 Reflex 0.05619534158801628 Reflex Plus 7.792882500649407E-4 Semi-empirical 0.007446532167287211 Sorption 0.055675816087972986 Synthia 0.0013854013334487834 TURBOMOLE 5.195255000432938E-4 VAMP 0.0015585765001298814 Visualization 0.8642306693220192 X-Cell 0.0012122261667676854 ZDOCK 0.03021906658585159

Year

2021 0.06819775596072931 2022 0.22080995792426367 2023 0.3748246844319776 2024 0.8515953716690042 2025 1.0 2026 0.37263323983169705 2027 0.0

Keywords

target 1.0 potential 0.270975853270717 docking 0.21916947084273194 visualization 0.21047960655252745 analysis 0.185815183226713 between 0.15286765521576748 novel 0.10120918537144548 energy 0.08431017268794143 binding 0.07133084347150834 cell 0.05979366194579004 activity 0.053507377140110196 promising 0.04999445327811264 interaction 0.038568206190141625 stability 0.03228192138446178 synthesized 0.029286691565284916 experimental 0.028103390895980476 performance 0.021151499463816885 mechanism 0.019080723292534112 protein 0.019080723292534112 effective 0.018784898125208 development 0.016972968975335578 synthesis 0.013829826572495655 including 0.01183300669304441 design 7.765410642310395E-4 chemical 0.0
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