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Application

Discovery Studio 1.0 Materials Studio 0.5928922276798613 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05891016200294551 Amorphous Cell 0.23613156602847324 Blends 0.0019636720667648502 CASTEP 0.2621502209131075 CDOCKER 0.23907707412862053 CHARMm 0.3789887088856161 COMPASS 0.29504172803141876 COMPASS III 0.08100147275405008 COSMObase 0.003436426116838488 COSMOconf 0.006872852233676976 COSMOquick 9.818360333824251E-4 COSMOtherm 0.058419243986254296 Catalyst 0.10505645557191949 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.057928325969563085 DFTB Plus 0.005891016200294551 DMol3 0.12322042218949436 DPD 0.0029455081001472753 Discover 0.002454590083456063 Forcite 0.46195385370643105 GULP 0.016691212567501227 Kinetix 0.0 LUDI 0.005400098183603338 LibDock 0.09867452135493372 LigandFit 0.004909180166912126 MODELER 0.3701521845851743 MesoDyn 0.0014727540500736377 Mesocite 0.0019636720667648502 Mesoscale 0.006872852233676976 Morphology 0.012763868433971527 ONETEP 4.909180166912126E-4 Polymorph 9.818360333824251E-4 QSAR 9.818360333824251E-4 Quantum Mechanics 0.3799705449189985 Reflex 0.041237113402061855 Reflex Plus 4.909180166912126E-4 Semi-empirical 0.006872852233676976 Sorption 0.044182621502209134 Synthia 9.818360333824251E-4 TURBOMOLE 4.909180166912126E-4 VAMP 4.909180166912126E-4 Visualization 0.8885616102110947 X-Cell 0.0019636720667648502 ZDOCK 0.039764359351988215

Year

2025 0.0

Keywords

target 1.0 potential 0.35495307612095933 docking 0.294681960375391 analysis 0.23420229405630866 visualization 0.1927007299270073 between 0.12179353493222106 binding 0.11386861313868613 novel 0.10114702815432743 promising 0.09447340980187696 activity 0.07069864442127216 including 0.0383733055265902 cell 0.03232533889468196 therapeutic 0.028988529718456727 stability 0.027111574556830033 protein 0.02335766423357664 energy 0.018143899895724715 development 0.015849843587069864 strong 0.01543274244004171 interaction 0.012095933263816475 synthesized 0.005630865484880084 silico 0.005422314911366006 effective 0.003753910323253389 synthesis 0.0020855057351407717 inhibition 0.0 vitro 0.0
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