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Application

Discovery Studio 1.0 Materials Studio 0.9809885931558935 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06777198530040167 Amorphous Cell 0.27313904794462013 Blends 0.002991197333561234 CASTEP 0.4023587727544654 CDOCKER 0.1756260148705239 CHARMm 0.2616870352961285 COMPASS 0.3687718998376207 COMPASS III 0.0764037261772498 COSMObase 0.003162122895479019 COSMOconf 0.003674899581232373 COSMOmic 2.563883428766772E-4 COSMOperm 0.001281941714383386 COSMOplex 3.418511238355696E-4 COSMOquick 0.0017947184001367404 COSMOtherm 0.06247329288095035 Cantera 0.0 Catalyst 0.11708400991368259 Classical Simulations 1.0 Conformers 0.001281941714383386 Crystallization 0.07572002392957868 DFTB Plus 0.005384155200410221 DMol3 0.183488590718742 DPD 0.0028202717716434493 Discover 0.004444064609862405 Forcite 0.5326895137167763 GULP 0.025638834287667722 Kinetix 2.563883428766772E-4 LUDI 0.005384155200410221 LibDock 0.07144688488163405 LigandFit 0.007691650286300316 MCSS 0.0011110161524656012 MODELER 0.19810272626271258 MesoDyn 0.0011964789334244937 Mesocite 0.003931287924109051 Mesoscale 0.007178873600546962 Modules 0.0 Morphology 0.017519870096572944 ONETEP 0.0014528672763011708 Polymorph 0.001880181181095633 QMERA 1.709255619177848E-4 QSAR 0.0011964789334244937 Quantum Mechanics 0.5737971113580036 Reflex 0.05580719596615674 Reflex Plus 8.546278095889241E-4 Semi-empirical 0.00709341081958807 Sorption 0.05546534484232117 Synthia 0.001281941714383386 TURBOMOLE 5.127766857533544E-4 VAMP 0.0013674044953422785 Visualization 0.8631740876848133 X-Cell 0.001281941714383386 ZDOCK 0.0303392872404068

Year

2020 0.05909935415376449 2021 0.13438910023887463 2022 0.15394143147836858 2023 0.45191542068477397 2024 0.7837742192338317 2025 1.0 2026 0.37609484207732463 2027 0.0

Keywords

target 1.0 potential 0.264428159976667 docking 0.21535601006234278 visualization 0.2085384082540377 analysis 0.18068467680192496 between 0.152867403113493 novel 0.10069634328630282 energy 0.08206642604542637 binding 0.07058223048598199 cell 0.057858470961391226 activity 0.05286375733712494 promising 0.048889861095920376 interaction 0.03806190528272996 stability 0.027379780524262643 synthesized 0.026395420904881693 experimental 0.025702723394946954 protein 0.018374712895111014 mechanism 0.018265339604068686 effective 0.01768201538517627 performance 0.017317437748368514 development 0.016077873783222136 synthesis 0.010937329104232747 including 0.008421743410259214 design 5.468664552116373E-4 chemical 0.0
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