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Application

Discovery Studio 1.0 Materials Studio 0.7121484141232794 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0600627521290901 Amorphous Cell 0.18377409233527567 Blends 0.002689376961004034 CASTEP 0.3662034961900493 CDOCKER 0.1994621246077992 CHARMm 0.24831913939937247 COMPASS 0.30031376064545046 COMPASS III 0.009861048857014791 COSMObase 4.4822949350067237E-4 COSMOconf 4.4822949350067237E-4 COSMOmic 0.0 COSMOperm 8.964589870013447E-4 COSMOplex 0.0 COSMOquick 4.4822949350067237E-4 COSMOtherm 0.06230389959659346 Catalyst 0.1667413715822501 Classical Simulations 0.7920215150156881 Conformers 4.4822949350067237E-4 Crystallization 0.06633796503809951 DFTB Plus 0.00582698341550874 DMol3 0.18735992828328105 DPD 0.00582698341550874 Discover 0.015688032272523533 Forcite 0.34558493948901836 GULP 0.026445540116539667 LUDI 0.008516360376512775 LibDock 0.08068130883012102 LigandFit 0.00941281936351412 MCSS 0.002689376961004034 MODELER 0.10264455401165397 MesoDyn 0.002689376961004034 Mesocite 0.006723442402510085 Mesoscale 0.01344688480502017 Morphology 0.01748095024652622 ONETEP 8.964589870013447E-4 Polymorph 0.0022411474675033617 QMERA 4.4822949350067237E-4 QSAR 0.0031376064545047063 Quantum Mechanics 0.5432541461228149 Reflex 0.04661586732406992 Reflex Plus 0.001344688480502017 Semi-empirical 0.00941281936351412 Sorption 0.029134917077543704 Synthia 0.0 TURBOMOLE 4.4822949350067237E-4 VAMP 0.0022411474675033617 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03989242492155984

Year

2022 0.0

Keywords

target 1.0 visualization 0.2738963531669866 docking 0.24337811900191939 potential 0.19001919385796545 between 0.13397312859884836 analysis 0.1253358925143954 novel 0.08253358925143954 binding 0.07907869481765835 activity 0.06813819577735125 interaction 0.050287907869481764 energy 0.042994241842610366 protein 0.03915547024952015 experimental 0.03435700575815739 cell 0.03320537428023033 synthesized 0.031861804222648754 synthesis 0.026679462571976967 well 0.02015355086372361 mechanism 0.01401151631477927 drug 0.010748560460652591 chemical 0.009788867562380038 compound 0.008637236084452975 vitro 0.005566218809980806 silico 0.00345489443378119 inhibition 0.0019193857965451055 design 0.0
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