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Application

Discovery Studio 0.922107032782292 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08071553228621292 Amorphous Cell 0.24956369982547993 Blends 0.004799301919720768 CASTEP 0.56282722513089 CDOCKER 0.19415357766143107 CHARMm 0.24171029668411867 COMPASS 0.4166666666666667 COMPASS III 0.013089005235602094 COSMObase 4.363001745200698E-4 COSMOconf 4.363001745200698E-4 COSMOmic 0.0 COSMOperm 0.0013089005235602095 COSMOplex 0.0 COSMOquick 8.726003490401396E-4 COSMOtherm 0.0824607329842932 Catalyst 0.16230366492146597 Classical Simulations 0.9947643979057592 Conformers 0.0017452006980802793 Crystallization 0.08856893542757417 DFTB Plus 0.008289703315881327 DMol3 0.2757417102966841 DPD 0.009162303664921465 Discover 0.02225130890052356 Forcite 0.47469458987783597 GULP 0.04363001745200698 LUDI 0.008289703315881327 LibDock 0.07853403141361257 LigandFit 0.009162303664921465 MCSS 0.002617801047120419 MODELER 0.09991273996509599 MesoDyn 0.002617801047120419 Mesocite 0.010034904013961605 Mesoscale 0.01832460732984293 Morphology 0.02181500872600349 ONETEP 0.003926701570680628 Polymorph 0.0034904013961605585 QMERA 4.363001745200698E-4 QSAR 0.004363001745200698 Quantum Mechanics 0.8263525305410122 Reflex 0.06326352530541013 Reflex Plus 0.0013089005235602095 Semi-empirical 0.014834205933682374 Sorption 0.04450261780104712 Synthia 4.363001745200698E-4 TURBOMOLE 0.0013089005235602095 VAMP 0.005235602094240838 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03883071553228621

Year

2022 0.0

Keywords

target 1.0 visualization 0.21764428369240446 docking 0.18493473816637837 potential 0.16952350998584684 between 0.155370341248624 analysis 0.1201446768359805 energy 0.08413272527126907 novel 0.07249567542066362 experimental 0.05897153640509514 binding 0.054411070923101115 interaction 0.05158043717565655 activity 0.04953609058027992 cell 0.041673219059600565 synthesized 0.030665198930649472 well 0.030036169208995125 chemical 0.026104733448655448 mechanism 0.02122975310583425 synthesis 0.02012895109293914 protein 0.0169838024846674 surface 0.013052366724327724 design 0.007548356659852178 higher 0.00534675263406196 promising 0.0044032080515804374 stability 0.0017298317345494575 compound 0.0
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