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Application

Discovery Studio 0.9259154929577464 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08124459809853068 Amorphous Cell 0.25280898876404495 Blends 0.004753673292999135 CASTEP 0.5427830596369922 CDOCKER 0.19230769230769232 CHARMm 0.2394122731201383 COMPASS 0.42350907519446845 COMPASS III 0.01296456352636128 COSMObase 4.32152117545376E-4 COSMOconf 4.32152117545376E-4 COSMOmic 0.0 COSMOperm 0.0012964563526361278 COSMOplex 0.0 COSMOquick 0.0012964563526361278 COSMOtherm 0.08340535868625756 Catalyst 0.16076058772687987 Classical Simulations 1.0 Conformers 0.0012964563526361278 Crystallization 0.08859118409680207 DFTB Plus 0.008210890233362144 DMol3 0.2696629213483146 DPD 0.008210890233362144 Discover 0.02247191011235955 Forcite 0.4840103716508211 GULP 0.03802938634399308 LUDI 0.008210890233362144 LibDock 0.07778738115816768 LigandFit 0.009075194468452896 MCSS 0.0025929127052722557 MODELER 0.0989628349178911 MesoDyn 0.003457216940363008 Mesocite 0.00864304235090752 Mesoscale 0.01728608470181504 Morphology 0.023336214347450302 ONETEP 0.00216076058772688 Polymorph 0.003025064822817632 QMERA 4.32152117545376E-4 QSAR 0.00432152117545376 Quantum Mechanics 0.7981849611063094 Reflex 0.06222990492653414 Reflex Plus 0.0012964563526361278 Semi-empirical 0.014693171996542784 Sorption 0.04710458081244598 Synthia 0.0 TURBOMOLE 8.64304235090752E-4 VAMP 0.005185825410544511 Visualization 0.9917891097666378 X-Cell 0.0 ZDOCK 0.038461538461538464

Year

2022 0.0

Keywords

target 1.0 visualization 0.21805925693682396 docking 0.1843549145634112 potential 0.1705596488477818 between 0.15582379683335945 analysis 0.11898416679730366 energy 0.08230130114438 novel 0.07179808747452579 experimental 0.05988399435648221 binding 0.05471076971312118 interaction 0.053770183414328265 activity 0.05032136698542091 cell 0.04436432042639912 well 0.029785232795108953 synthesized 0.029628468411976798 mechanism 0.021947013638501333 chemical 0.021633484872237027 synthesis 0.02100642733970842 protein 0.017557610910801064 surface 0.011600564351779277 higher 0.007994983539739771 design 0.0067408684746825525 promising 0.0034488164289073523 stability 0.0026649945132465906 compound 0.0
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