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Application

Discovery Studio 1.0 Materials Studio 0.408787806620624 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.046620521172638436 Amorphous Cell 0.10545602605863193 Blends 4.0716612377850165E-4 CASTEP 0.2681188925081433 CDOCKER 0.21600162866449513 CHARMm 0.33957654723127034 COMPASS 0.16408794788273615 COMPASS III 0.033794788273615636 COSMObase 0.002239413680781759 COSMOconf 0.0024429967426710096 COSMOperm 0.001017915309446254 COSMOquick 2.0358306188925082E-4 COSMOtherm 0.04743485342019544 Cantera 0.0 Catalyst 0.15859120521172637 Classical Simulations 0.6813925081433225 Conformers 0.001017915309446254 Crystallization 0.03277687296416938 DFTB Plus 0.0028501628664495114 DMol3 0.11400651465798045 DPD 8.143322475570033E-4 Discover 0.003257328990228013 Forcite 0.23147394136807817 GULP 0.014047231270358305 Kinetix 4.0716612377850165E-4 LUDI 0.006921824104234527 LibDock 0.09507328990228013 LigandFit 0.008346905537459284 MCSS 0.001017915309446254 MODELER 0.23452768729641693 MesoDyn 0.0 Mesocite 4.0716612377850165E-4 Mesoscale 0.0016286644951140066 Morphology 0.007125407166123778 ONETEP 6.107491856677524E-4 Polymorph 0.0012214983713355048 QMERA 2.0358306188925082E-4 QSAR 0.0014250814332247557 Quantum Mechanics 0.3743892508143323 Reflex 0.024226384364820847 Semi-empirical 0.004682410423452769 Sorption 0.02768729641693811 Synthia 0.0 TURBOMOLE 4.0716612377850165E-4 VAMP 0.0012214983713355048 Visualization 1.0 X-Cell 6.107491856677524E-4 ZDOCK 0.02992671009771987

Year

2020 0.0554566268125159 2021 0.1622996692953447 2022 0.2805901806156194 2023 0.5281098957008394 2024 0.9458153141694225 2025 1.0 2026 0.21470363775120835 2027 0.0

Keywords

potential 1.0 target 0.9561783684869498 docking 0.38476355581238564 visualization 0.2676490417027834 analysis 0.2545507078878937 binding 0.1375325050563421 novel 0.12568621785611095 promising 0.08398343446017528 activity 0.08340556679187133 between 0.07791582394298373 protein 0.0652990465183473 drug 0.04882981797168449 silico 0.04391794279110084 therapeutic 0.04295483001059424 vitro 0.03968024655687181 treatment 0.027159780410286046 including 0.023885196956563614 compound 0.023788885678512953 stability 0.022825772898006358 interaction 0.020706924780891842 inhibition 0.017721275161321392 development 0.01704709621496677 effective 0.008668015024559377 energy 0.0034672060098237503 synthesized 0.0
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