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Application

Discovery Studio 1.0 Materials Studio 0.6481967996178648 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05118249205788916 Amorphous Cell 0.16731380162372045 Blends 0.0031768443346276033 CASTEP 0.3286268972820332 CDOCKER 0.17084362866219555 CHARMm 0.2668549241087187 COMPASS 0.2643840451817861 COMPASS III 0.018002117896223083 COSMOconf 3.5298270384751147E-4 COSMOmic 0.0 COSMOperm 7.059654076950229E-4 COSMOplex 7.059654076950229E-4 COSMOquick 3.5298270384751147E-4 COSMOtherm 0.04800564772326156 Catalyst 0.18884574655841863 Classical Simulations 0.755735968937522 Conformers 0.0031768443346276033 Crystallization 0.05824214613483939 DFTB Plus 0.004235792446170138 DMol3 0.17119661136604306 DPD 0.0024708789269325803 Discover 0.010589481115425344 Forcite 0.33356865513589834 GULP 0.02435580656547829 LUDI 0.006706671373102718 LibDock 0.06989057536180728 LigandFit 0.007765619484645252 MCSS 3.5298270384751147E-4 MODELER 0.07483233321567243 MesoDyn 0.0031768443346276033 Mesocite 0.0035298270384751147 Mesoscale 0.007765619484645252 Morphology 0.01694316978468055 ONETEP 0.0014119308153900459 Polymorph 0.0014119308153900459 QMERA 7.059654076950229E-4 QSAR 0.0010589481115425344 Quantum Mechanics 0.48676314860571834 Reflex 0.040240028238616304 Reflex Plus 3.5298270384751147E-4 Semi-empirical 0.007412636780797741 Sorption 0.032827391457818565 Synthia 3.5298270384751147E-4 TURBOMOLE 0.0 VAMP 0.0017649135192375574 Visualization 1.0 X-Cell 3.5298270384751147E-4 ZDOCK 0.028238616307800918

Year

2023 0.0

Keywords

target 1.0 visualization 0.2984635501797973 docking 0.2906178489702517 potential 0.2291598561621445 analysis 0.15838509316770186 between 0.12504086302713305 novel 0.08891794704151683 binding 0.08875449493298464 activity 0.06881333769205623 protein 0.05704478587773782 interaction 0.052795031055900624 energy 0.03481529911735862 synthesized 0.030565544295521413 cell 0.023700555737169008 compound 0.018470088264138606 drug 0.018306636155606407 experimental 0.017816279830009808 synthesis 0.016835567178816607 silico 0.016181758744687805 vitro 0.013076168682576005 mechanism 0.008499509643674403 promising 0.004740111147433802 chemical 0.0037593984962406013 well 0.0013076168682576005 development 0.0
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