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Application

Discovery Studio 1.0 Materials Studio 0.98267043285747 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06608905903687286 Amorphous Cell 0.2755389885150111 Blends 0.0025186379206125326 CASTEP 0.38162401773121096 CDOCKER 0.1687487406810397 CHARMm 0.2620390892605279 COMPASS 0.35764658472697963 COMPASS III 0.08311505138021358 COSMObase 0.003526093088857546 COSMOconf 0.004231311706629055 COSMOmic 1.0074551682450131E-4 COSMOperm 0.001309691718718517 COSMOplex 2.0149103364900262E-4 COSMOquick 0.0014104372355430183 COSMOtherm 0.06236147491436631 Cantera 0.0 Catalyst 0.12532742292967963 Classical Simulations 1.0 Conformers 7.052186177715092E-4 Crystallization 0.07445093693330647 DFTB Plus 0.005440257908523071 DMol3 0.17197259721942373 DPD 0.00231714688696353 Discover 0.003223856538384042 Forcite 0.5313318557324199 GULP 0.02387668748740681 Kinetix 3.022365504735039E-4 LUDI 0.00463429377392706 LibDock 0.07183155349586944 LigandFit 0.005943985492645578 MCSS 7.052186177715092E-4 MODELER 0.18899858956276447 MesoDyn 0.0010074551682450132 Mesocite 0.003526093088857546 Mesoscale 0.006447713076768084 Modules 0.0 Morphology 0.01783195647793673 ONETEP 0.0010074551682450132 Polymorph 0.0019141648196655248 QMERA 1.0074551682450131E-4 QSAR 0.0010074551682450132 Quantum Mechanics 0.542615353616764 Reflex 0.054100342534757206 Reflex Plus 9.067096514205118E-4 Semi-empirical 0.007354422728188596 Sorption 0.056518234938545235 Synthia 0.0015111827523675197 TURBOMOLE 6.044731009470078E-4 VAMP 0.001611928269192021 Visualization 0.841225065484586 X-Cell 0.001309691718718517 ZDOCK 0.029719927463227887

Year

2022 0.08510825558880479 2023 0.36331631754972715 2024 0.6275303643724697 2025 1.0 2026 0.37414187643020597 2027 0.0

Keywords

target 1.0 potential 0.28451459725641925 docking 0.2261695392191347 visualization 0.20950580372845587 analysis 0.19561202954625395 between 0.15327119240239184 novel 0.10323601829053816 energy 0.0857368976433345 binding 0.07588814632430531 cell 0.06256595145972564 promising 0.060763278227224764 activity 0.05575096728807598 interaction 0.03803200844178684 stability 0.03732852620471333 synthesized 0.031744635947942315 experimental 0.028622933520928595 performance 0.028315160042208933 protein 0.021368272951107985 effective 0.02132430531129089 development 0.020972564192754135 mechanism 0.020796693633485755 including 0.018114667604642982 synthesis 0.014905029897995076 design 0.003341540626099191 chemical 0.0
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