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Application

Discovery Studio 0.870496310230068 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06948640483383686 Amorphous Cell 0.2862294123379788 Blends 0.002631322483188773 CASTEP 0.39869408439723225 CDOCKER 0.14959555598869506 CHARMm 0.2363317415456583 COMPASS 0.3740376181658708 COMPASS III 0.08400740668550824 COSMObase 0.0036058863658512815 COSMOconf 0.004093168307182536 COSMOmic 9.745638826625085E-5 COSMOperm 0.001266933047461261 COSMOplex 1.949127765325017E-4 COSMOquick 0.001364389435727512 COSMOtherm 0.06422375986745932 Cantera 0.0 Catalyst 0.10973589318779846 Classical Simulations 1.0 Conformers 8.771074943962577E-4 Crystallization 0.07699054673033817 DFTB Plus 0.0057499269077088 DMol3 0.1814637949517591 DPD 0.0029236916479875256 Discover 0.0035084299775850307 Forcite 0.5512133320339149 GULP 0.02494883539616022 Kinetix 2.9236916479875256E-4 LUDI 0.0037033427541175324 LibDock 0.06334665237306306 LigandFit 0.005067732189845044 MCSS 4.8728194133125426E-4 MODELER 0.17873501608030407 MesoDyn 0.0010720202709287594 Mesocite 0.004093168307182536 Mesoscale 0.007211772731702563 Modules 0.0 Morphology 0.01812688821752266 ONETEP 0.0010720202709287594 Polymorph 0.0018516713770587662 QMERA 1.949127765325017E-4 QSAR 0.0010720202709287594 Quantum Mechanics 0.5689503946983725 Reflex 0.05642724880615924 Reflex Plus 8.771074943962577E-4 Semi-empirical 0.007699054673033817 Sorption 0.05740181268882175 Synthia 0.0014618458239937628 TURBOMOLE 5.847383295975051E-4 VAMP 0.0015593022122600136 Visualization 0.7585030698762304 X-Cell 0.001266933047461261 ZDOCK 0.02611831205535523

Year

2022 0.023002633889376647 2023 0.3346795434591747 2024 0.7131694468832309 2025 1.0 2026 0.3732221246707638 2027 0.0

Keywords

target 1.0 potential 0.2748337077661777 docking 0.19770054182635127 analysis 0.18867010263865028 visualization 0.1831196863574292 between 0.1573939474031981 novel 0.09598696092683141 energy 0.09581075723536409 cell 0.06488700938284657 binding 0.06105457909343201 promising 0.05744240341835161 activity 0.043258006255231046 stability 0.0382802519712788 performance 0.03590150213646976 interaction 0.03277388661292454 experimental 0.03189286815558786 synthesized 0.02779613232897229 effective 0.0203074754416105 mechanism 0.019294304215673318 development 0.017444165455266288 including 0.01638694330646227 synthesis 0.006960045812959782 protein 0.0067838421214924454 design 4.8456015153517464E-4 chemical 0.0
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