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Application

Discovery Studio 1.0 Materials Studio 0.2407694694384114 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.028053769725306838 Amorphous Cell 0.08942139099941554 Blends 0.0 CASTEP 0.13442431326709525 CDOCKER 0.23787258912916423 CHARMm 0.36586791350087666 COMPASS 0.1402688486265342 COMPASS III 0.012273524254821741 COSMOconf 5.844535359438924E-4 COSMOquick 0.0 COSMOtherm 0.018702513150204558 Catalyst 0.14611338398597312 Classical Simulations 0.6241963763880771 Crystallization 0.026884862653419054 DFTB Plus 0.004091174751607247 DMol3 0.05961426066627703 DPD 5.844535359438924E-4 Forcite 0.18001168907071888 GULP 0.010520163646990065 LUDI 0.005260081823495032 LibDock 0.09409701928696669 LigandFit 0.007597895967270602 MCSS 0.0017533606078316774 MODELER 0.3389830508474576 MesoDyn 0.0 Mesocite 0.0 Mesoscale 0.0011689070718877848 Morphology 0.0070134424313267095 ONETEP 0.0 Polymorph 5.844535359438924E-4 QSAR 0.0 Quantum Mechanics 0.19228521332554063 Reflex 0.018118059614260665 Semi-empirical 0.005260081823495032 Sorption 0.015195791934541203 Synthia 5.844535359438924E-4 TURBOMOLE 5.844535359438924E-4 VAMP 5.844535359438924E-4 Visualization 1.0 ZDOCK 0.03915838690824079

Year

2024 0.0

Keywords

target 1.0 docking 0.4295837023914969 potential 0.38588721582521407 visualization 0.32122822556834957 analysis 0.2406259226454089 binding 0.16031886625332153 novel 0.13227044582226158 activity 0.12843224092116917 between 0.10363153232949512 protein 0.09536462946560378 vitro 0.06023029229406555 promising 0.058163566578092706 silico 0.05284912902273398 synthesis 0.04428697962798937 interaction 0.04044877472689696 compound 0.038382049010924124 drug 0.03424859757897845 therapeutic 0.03100088573959256 treatment 0.03100088573959256 synthesized 0.026572187776793623 inhibition 0.02155299675228816 effective 0.015057573073516387 development 0.014762326542663124 including 0.010038382049010924 cell 0.0
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