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Application

Discovery Studio 1.0 Materials Studio 0.9593220338983051 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06766917293233082 Amorphous Cell 0.27598407784166296 Blends 0.002476780185758514 CASTEP 0.3888544891640867 CDOCKER 0.17523219814241486 CHARMm 0.26421937195931006 COMPASS 0.3624944714727997 COMPASS III 0.07881468376824415 COSMObase 0.0033613445378151263 COSMOconf 0.003803626713843432 COSMOmic 1.7691287041132243E-4 COSMOperm 0.0014153029632905795 COSMOplex 2.6536930561698365E-4 COSMOquick 0.0014153029632905795 COSMOtherm 0.06253869969040247 Cantera 0.0 Catalyst 0.13126934984520125 Classical Simulations 1.0 Conformers 9.730207872622733E-4 Crystallization 0.0734188412206988 DFTB Plus 0.0054842989827509955 DMol3 0.17682441397611676 DPD 0.00291906236178682 Discover 0.003803626713843432 Forcite 0.5301194161875277 GULP 0.025121627598407786 Kinetix 2.6536930561698365E-4 LUDI 0.005042016806722689 LibDock 0.0729765590446705 LigandFit 0.00654577620521893 MCSS 8.845643520566122E-4 MODELER 0.18098186643078285 MesoDyn 0.0014153029632905795 Mesocite 0.004068996019460416 Mesoscale 0.007518796992481203 Modules 0.0 Morphology 0.016983635559486954 ONETEP 0.0010614772224679346 Polymorph 0.0017691287041132243 QMERA 2.6536930561698365E-4 QSAR 9.730207872622733E-4 Quantum Mechanics 0.5546218487394958 Reflex 0.05413533834586466 Reflex Plus 7.96107916850951E-4 Semi-empirical 0.007430340557275541 Sorption 0.05457762052189297 Synthia 0.0015037593984962407 TURBOMOLE 5.307386112339673E-4 VAMP 0.0015037593984962407 Visualization 0.8708536045997346 X-Cell 0.001238390092879257 ZDOCK 0.03060592658115878

Year

2021 0.006750241080038573 2022 0.26510037696151484 2023 0.378101165950732 2024 0.7983694222845621 2025 1.0 2026 0.37266590689927237 2027 0.0

Keywords

target 1.0 potential 0.27545840278830125 docking 0.2250340960751629 visualization 0.21416123655099256 analysis 0.18798302773147446 between 0.15259887861797242 novel 0.10380360660706167 energy 0.08296711622973178 binding 0.07539021063797545 cell 0.06118351265343234 activity 0.05478102742839824 promising 0.052129110471283525 interaction 0.03989240794059706 stability 0.03280800121230489 synthesized 0.03212607970904682 experimental 0.028034550689498408 protein 0.023033792998939234 performance 0.021707834520381875 effective 0.020722836793453554 mechanism 0.01992726170631914 development 0.019169571147143506 synthesis 0.015040157599636308 including 0.014737081375966056 design 0.0021973026216093347 chemical 0.0
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