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Application

Discovery Studio 1.0 Materials Studio 0.9690703735881842 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06137886319429436 Amorphous Cell 0.2779338664361357 Blends 0.002161227577263886 CASTEP 0.3237518910741301 CDOCKER 0.17224983790793172 CHARMm 0.276421007132051 COMPASS 0.33390966068727035 COMPASS III 0.1041711692241193 COSMObase 0.004970823427706938 COSMOconf 0.0056191917008861034 COSMOmic 0.0 COSMOperm 4.322455154527772E-4 COSMOplex 2.161227577263886E-4 COSMOquick 0.0012967365463583316 COSMOtherm 0.06505295007564296 Catalyst 0.08039766587421655 Classical Simulations 1.0 Conformers 4.322455154527772E-4 Crystallization 0.07240112383834017 DFTB Plus 0.0030257186081694403 DMol3 0.15063756213529284 DPD 0.0023773503349902745 Discover 0.004322455154527772 Forcite 0.5193429868165118 GULP 0.019018802679922196 Kinetix 2.161227577263886E-4 LUDI 0.004106332396801383 LibDock 0.07240112383834017 LigandFit 0.004322455154527772 MCSS 4.322455154527772E-4 MODELER 0.26042792306029827 MesoDyn 4.322455154527772E-4 Mesocite 0.0030257186081694403 Mesoscale 0.0056191917008861034 Modules 0.0 Morphology 0.015993084071752754 ONETEP 8.644910309055544E-4 Polymorph 0.0019451048195374973 QMERA 2.161227577263886E-4 QSAR 6.483682731791658E-4 Quantum Mechanics 0.46488005186946185 Reflex 0.053166198400691596 Reflex Plus 6.483682731791658E-4 Semi-empirical 0.0045385779122541605 Sorption 0.05511130322022909 Synthia 8.644910309055544E-4 TURBOMOLE 0.0 VAMP 8.644910309055544E-4 Visualization 0.7140695915279879 X-Cell 0.0017289820618111088 ZDOCK 0.030257186081694403

Year

2024 0.4372887386586017 2025 1.0 2026 0.7409713574097135 2027 0.0

Keywords

target 1.0 potential 0.3111111111111111 docking 0.22535211267605634 analysis 0.22076160667709963 visualization 0.16734480959833073 between 0.14522691705790297 novel 0.09514866979655712 promising 0.08586332811684924 binding 0.07563901930099114 energy 0.0711528429838289 cell 0.060406885758998434 activity 0.048095983307250914 stability 0.03943661971830986 performance 0.034533124673969746 including 0.02190923317683881 effective 0.014814814814814815 synthesized 0.014501825769431403 development 0.01377151799687011 mechanism 0.012415232133541993 strong 0.011058946270213876 experimental 0.009076682316118936 enhanced 0.00782472613458529 interaction 0.007094418362023996 protein 0.0036515388628064684 design 0.0
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