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Application

Discovery Studio 0.8775050100200401 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06798196166854566 Amorphous Cell 0.2879368658399098 Blends 0.002593010146561443 CASTEP 0.4080045095828636 CDOCKER 0.1569334836527621 CHARMm 0.24013528748590757 COMPASS 0.37192784667418266 COMPASS III 0.08556933483652762 COSMObase 0.003269447576099211 COSMOconf 0.004622322435174746 COSMOmic 1.1273957158962796E-4 COSMOperm 0.0010146561443066515 COSMOplex 3.382187147688839E-4 COSMOquick 0.0013528748590755355 COSMOtherm 0.06640360766629087 Cantera 0.0 Catalyst 0.10755355129650507 Classical Simulations 1.0 Conformers 6.764374295377678E-4 Crystallization 0.07677564825253665 DFTB Plus 0.00608793686583991 DMol3 0.18207440811724915 DPD 0.003043968432919955 Discover 0.00439684329199549 Forcite 0.5487034949267193 GULP 0.023337091319052986 Kinetix 2.2547914317925591E-4 LUDI 0.004284103720405863 LibDock 0.06471251409244645 LigandFit 0.005298759864712514 MCSS 4.5095828635851183E-4 MODELER 0.18196166854565954 MesoDyn 0.0011273957158962795 Mesocite 0.0038331454340473506 Mesoscale 0.0071025930101465615 Modules 0.0 Morphology 0.01758737316798196 ONETEP 0.0012401352874859075 Polymorph 0.0021420518602029313 QMERA 2.2547914317925591E-4 QSAR 0.0014656144306651635 Quantum Mechanics 0.5788049605411499 Reflex 0.05636978579481398 Reflex Plus 6.764374295377678E-4 Semi-empirical 0.008004509582863585 Sorption 0.055580608793686585 Synthia 0.0012401352874859075 TURBOMOLE 4.5095828635851183E-4 VAMP 0.0014656144306651635 Visualization 0.7562570462232243 X-Cell 0.0012401352874859075 ZDOCK 0.02818489289740699

Year

2021 0.0029370172957685196 2022 0.16501686065484608 2023 0.2368106167736321 2024 0.7701512020015229 2025 1.0 2026 0.46219949961927553 2027 0.0

Keywords

target 1.0 potential 0.26971017430077016 docking 0.19558167815160113 analysis 0.18625861370085123 visualization 0.17764491284961492 between 0.15611066072152413 novel 0.09338265099310904 energy 0.0925212809079854 cell 0.06510944466963924 binding 0.06115727604377787 promising 0.05796513984596676 activity 0.04524726388325902 stability 0.0356708552898257 performance 0.032377381434941226 experimental 0.03050263477908391 interaction 0.027614511552492907 synthesized 0.024979732468585328 effective 0.018646128901499796 mechanism 0.017683421159302798 development 0.0141366031617349 including 0.0131738954195379 synthesis 0.005674908796108634 protein 0.0027361167409809487 design 0.0015200648561005268 chemical 0.0
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