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Application

Discovery Studio 1.0 Materials Studio 0.5187021180712033 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0795198799699925 Amorphous Cell 0.2880720180045011 Blends 0.002250562640660165 CASTEP 0.13878469617404351 CDOCKER 0.18154538634658665 CHARMm 0.3623405851462866 COMPASS 0.33758439609902474 COMPASS III 0.07651912978244561 COSMObase 0.002250562640660165 COSMOconf 0.00450112528132033 COSMOmic 0.0 COSMOperm 7.501875468867217E-4 COSMOquick 0.0015003750937734434 COSMOtherm 0.05026256564141035 Catalyst 0.1072768192048012 Classical Simulations 1.0 Crystallization 0.03975993998499625 DFTB Plus 0.008252063015753939 DMol3 0.12228057014253563 DPD 7.501875468867217E-4 Discover 0.002250562640660165 Forcite 0.47561890472618157 GULP 0.009752438109527382 LUDI 0.003000750187546887 LibDock 0.08252063015753938 LigandFit 0.002250562640660165 MODELER 0.2820705176294073 MesoDyn 7.501875468867217E-4 Mesocite 0.0037509377344336083 Mesoscale 0.005251312828207052 Morphology 0.015753938484621154 ONETEP 7.501875468867217E-4 Polymorph 7.501875468867217E-4 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.24681170292573143 Reflex 0.02250562640660165 Reflex Plus 0.0 Semi-empirical 0.011252813203300824 Sorption 0.05476369092273068 Synthia 0.0015003750937734434 VAMP 0.0015003750937734434 Visualization 0.9437359339834959 X-Cell 0.0 ZDOCK 0.05776444111027757

Year

2022 0.07756232686980609 2023 0.34418282548476453 2024 0.778393351800554 2025 1.0 2026 0.27770083102493076 2027 0.0

Keywords

interaction 1.0 target 0.9423909423909423 between 0.4039294039294039 docking 0.3702963702963703 potential 0.32167832167832167 analysis 0.2853812853812854 visualization 0.22943722943722944 binding 0.2181152181152181 protein 0.0969030969030969 energy 0.08291708291708291 mechanism 0.08191808191808192 novel 0.055944055944055944 cell 0.05094905094905095 stability 0.04728604728604729 activity 0.043623043623043624 including 0.024642024642024644 promising 0.02197802197802198 drug 0.018648018648018648 experimental 0.013653013653013654 strong 0.008991008991008992 therapeutic 0.007659007659007659 development 0.005661005661005661 complex 0.003996003996003996 effective 0.003663003663003663 silico 0.0
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