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Application

Discovery Studio 1.0 Materials Studio 0.910923401804569 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05514157973174367 Amorphous Cell 0.27148534525583706 Blends 0.0024838549428713363 CASTEP 0.3087431693989071 CDOCKER 0.18231495280675608 CHARMm 0.2851465474416294 COMPASS 0.33109786388474916 COMPASS III 0.10755091902632886 COSMObase 0.004222553402881272 COSMOconf 0.00546448087431694 COSMOmic 0.0 COSMOperm 2.4838549428713363E-4 COSMOplex 2.4838549428713363E-4 COSMOquick 4.967709885742673E-4 COSMOtherm 0.062344759066070544 Catalyst 0.08718330849478391 Classical Simulations 1.0 Conformers 4.967709885742673E-4 Crystallization 0.07178340784898161 DFTB Plus 0.004470938897168405 DMol3 0.14083457526080476 DPD 0.0024838549428713363 Discover 0.003229011425732737 Forcite 0.5144063586686537 GULP 0.01639344262295082 Kinetix 2.4838549428713363E-4 LUDI 0.0037257824143070045 LibDock 0.07550919026328863 LigandFit 0.004222553402881272 MODELER 0.265772478887233 MesoDyn 0.0 Mesocite 0.003229011425732737 Mesoscale 0.00546448087431694 Modules 0.0 Morphology 0.015896671634376552 ONETEP 9.935419771485345E-4 Polymorph 0.0024838549428713363 QMERA 2.4838549428713363E-4 QSAR 0.0 Quantum Mechanics 0.4426229508196721 Reflex 0.05191256830601093 Reflex Plus 9.935419771485345E-4 Semi-empirical 0.005961251862891207 Sorption 0.05986090412319921 Synthia 0.0012419274714356682 TURBOMOLE 2.4838549428713363E-4 VAMP 7.451564828614009E-4 Visualization 0.7354694485842027 X-Cell 0.0012419274714356682 ZDOCK 0.029557873820168903

Year

2023 0.0 2024 0.37790697674418605 2025 1.0 2026 0.6959302325581396 2027 1.937984496124031E-4

Keywords

target 1.0 potential 0.3157582234888968 docking 0.23952024700154376 analysis 0.2246764042275264 visualization 0.1780073625460159 between 0.14321339508371927 novel 0.09820686379289871 promising 0.09060681629260182 binding 0.08122550765942287 energy 0.0678066737917112 cell 0.061750385939912125 activity 0.06020662629141432 stability 0.04132525828286427 performance 0.0346752167201045 including 0.026837667735423346 synthesized 0.020306376914855716 development 0.0199501246882793 effective 0.019712623203895024 mechanism 0.0184063650397815 interaction 0.014012587578672367 strong 0.01282508015675098 experimental 0.011281320508253177 enhanced 0.0110438190238689 protein 0.010687566797292483 synthesis 0.0
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