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Application

Discovery Studio 1.0 Materials Studio 0.882821937666103 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06068046299544019 Amorphous Cell 0.2374605401613469 Blends 0.003858295334970186 CASTEP 0.4251139950894423 CDOCKER 0.16976499473868817 CHARMm 0.265520869870221 COMPASS 0.3767099263416345 COMPASS III 0.02525429673798667 COSMObase 3.5075412136092597E-4 COSMOconf 0.001052262364082778 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 0.0 COSMOquick 0.002104524728165556 COSMOtherm 0.06418800420904945 Catalyst 0.1876534549280954 Classical Simulations 0.9438793405822519 Conformers 0.0028060329708874078 Crystallization 0.07365836548579446 DFTB Plus 0.005962820063135742 DMol3 0.22097509645738336 DPD 0.004910557699052964 Discover 0.009470361276745002 Forcite 0.473868817958611 GULP 0.03788144510698001 LUDI 0.006664328305857594 LibDock 0.06944931602946335 LigandFit 0.007716590669940372 MCSS 3.5075412136092597E-4 MODELER 0.07435987372851631 MesoDyn 0.002455278849526482 Mesocite 0.005962820063135742 Mesoscale 0.011574886004910558 Morphology 0.01823921431076815 ONETEP 0.0014030164854437039 Polymorph 0.001052262364082778 QMERA 3.5075412136092597E-4 QSAR 0.002455278849526482 Quantum Mechanics 0.630305156085584 Reflex 0.0540161346895826 Reflex Plus 7.015082427218519E-4 Reflex QPA 0.0 Semi-empirical 0.009470361276745002 Sorption 0.047702560505085936 Synthia 0.0 TURBOMOLE 0.001052262364082778 VAMP 0.002455278849526482 Visualization 1.0 X-Cell 0.0014030164854437039 ZDOCK 0.02806032970887408

Year

2023 0.0

Keywords

target 1.0 visualization 0.24746192893401014 docking 0.2377326565143824 potential 0.2089678510998308 analysis 0.1434010152284264 between 0.14015792442188382 novel 0.07896221094190638 energy 0.06852791878172589 binding 0.0679639029892837 activity 0.05245346869712352 interaction 0.05188945290468133 cell 0.04004512126339538 protein 0.03694303440496334 experimental 0.03003384094754653 synthesized 0.029328821206993795 mechanism 0.016074450084602367 synthesis 0.012831359278059786 chemical 0.011562323745064862 compound 0.010857304004512127 well 0.005217146080090242 drug 0.005076142131979695 development 0.0032430908065425833 silico 0.0018330513254371122 stability 0.0012690355329949238 promising 0.0
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