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Application

Discovery Studio 1.0 Materials Studio 0.47402025539409953 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05798252581413821 Amorphous Cell 0.1290706910246227 Blends 3.971405877680699E-4 CASTEP 0.3288324066719619 CDOCKER 0.2227958697378872 CHARMm 0.374900714853058 COMPASS 0.19579030976965847 COMPASS III 0.050833995234312944 COSMObase 0.003574265289912629 COSMOconf 0.004368546465448769 COSMOperm 7.942811755361397E-4 COSMOquick 3.971405877680699E-4 COSMOtherm 0.06036536934074663 Catalyst 0.13502779984114377 Classical Simulations 0.7970611596505163 Conformers 7.942811755361397E-4 Crystallization 0.03772835583796664 DFTB Plus 0.0019857029388403494 DMol3 0.13343923749007147 DPD 3.971405877680699E-4 Discover 0.003177124702144559 Forcite 0.28395552025417 GULP 0.014694201747418586 Kinetix 7.942811755361397E-4 LUDI 0.004765687053216839 LibDock 0.09809372517871326 LigandFit 0.005162827640984908 MCSS 3.971405877680699E-4 MODELER 0.33161239078633836 Mesocite 3.971405877680699E-4 Mesoscale 0.0011914217633042098 Morphology 0.007942811755361398 ONETEP 3.971405877680699E-4 Polymorph 0.0015885623510722795 QMERA 0.0 QSAR 7.942811755361397E-4 Quantum Mechanics 0.45313741064336777 Reflex 0.02779984114376489 Semi-empirical 0.003177124702144559 Sorption 0.03534551231135822 TURBOMOLE 3.971405877680699E-4 VAMP 3.971405877680699E-4 Visualization 1.0 X-Cell 0.0011914217633042098 ZDOCK 0.03216838760921366

Year

2023 0.05518528392428686 2024 0.628099173553719 2025 1.0 2026 0.22500666488936283 2027 0.0

Keywords

potential 1.0 target 0.9370759837177748 docking 0.36261872455902305 analysis 0.2783242876526459 visualization 0.21472184531886024 binding 0.12652645861601086 promising 0.1255088195386703 novel 0.11533242876526459 between 0.08717774762550883 therapeutic 0.07208276797829037 activity 0.0708955223880597 protein 0.042740841248303935 including 0.038331071913161464 stability 0.03629579375848033 silico 0.027137042062415198 vitro 0.026797829036635006 development 0.01662143826322931 strong 0.013907734056987787 treatment 0.010685210312075984 drug 0.009328358208955223 energy 0.007801899592944369 effective 0.007293080054274084 compound 0.005597014925373134 inhibition 0.004918588873812755 interaction 0.0
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