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Application

Discovery Studio 0.8733969579481061 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0689828296013656 Amorphous Cell 0.2875790742042374 Blends 0.0026107038859323225 CASTEP 0.4035545737523848 CDOCKER 0.15533688121297318 CHARMm 0.23877899387488705 COMPASS 0.3717240686815945 COMPASS III 0.08464705291695954 COSMObase 0.003614820765137062 COSMOconf 0.0042172908926599055 COSMOmic 2.008233758409479E-4 COSMOperm 0.0014057636308866352 COSMOplex 3.012350637614218E-4 COSMOquick 0.0013053519429661613 COSMOtherm 0.06486595039662617 Cantera 0.0 Catalyst 0.1079425645145095 Classical Simulations 1.0 Conformers 8.032935033637916E-4 Crystallization 0.07500753087659404 DFTB Plus 0.006225524651069385 DMol3 0.181142685008535 DPD 0.0031127623255346923 Discover 0.003715232453057536 Forcite 0.5509589316196405 GULP 0.02470127522843659 Kinetix 2.008233758409479E-4 LUDI 0.003514409077216588 LibDock 0.06386183351742143 LigandFit 0.005120996083944171 MCSS 4.016467516818958E-4 MODELER 0.18295009539110352 MesoDyn 0.0012049402550456873 Mesocite 0.003916055828898484 Mesoscale 0.007430464906115072 Modules 0.0 Morphology 0.01777286876192389 ONETEP 0.0011045285671252133 Polymorph 0.0021086454463299527 QMERA 2.008233758409479E-4 QSAR 0.0010041168792047394 Quantum Mechanics 0.5734511497138267 Reflex 0.05462395822873783 Reflex Plus 9.037051912842655E-4 Semi-empirical 0.008032935033637915 Sorption 0.05683301536298825 Synthia 0.0013053519429661613 TURBOMOLE 5.020584396023697E-4 VAMP 0.0014057636308866352 Visualization 0.7519831308364293 X-Cell 0.0014057636308866352 ZDOCK 0.026809920674766542

Year

2022 0.09688304768670633 2023 0.24678092531746737 2024 0.6827990409377498 2025 1.0 2026 0.3774087558831365 2027 0.0

Keywords

target 1.0 potential 0.27328742297934033 docking 0.1966745197535339 analysis 0.1893802102210946 visualization 0.17927691192461037 between 0.15689561435302646 novel 0.09695541862993838 energy 0.0955509242479159 cell 0.06700797390358826 binding 0.06211489670170352 promising 0.05926060166727075 activity 0.04462667633200435 stability 0.03923523015585357 performance 0.036969916636462485 experimental 0.031487857919536066 interaction 0.029947444726350126 synthesized 0.02627763682493657 effective 0.020976803189561435 mechanism 0.020251902863356288 development 0.01649148242116709 including 0.01621964479884016 synthesis 0.007339615802827111 protein 0.005799202609641174 design 9.514316781442551E-4 chemical 0.0
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