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Application

Discovery Studio 0.8686824423020743 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06883629191321498 Amorphous Cell 0.2874753451676529 Blends 0.002564102564102564 CASTEP 0.4059171597633136 CDOCKER 0.15502958579881657 CHARMm 0.23717948717948717 COMPASS 0.37485207100591716 COMPASS III 0.0839250493096647 COSMObase 0.0035502958579881655 COSMOconf 0.004142011834319527 COSMOmic 1.972386587771203E-4 COSMOperm 0.0013806706114398422 COSMOplex 2.958579881656805E-4 COSMOquick 0.0014792899408284023 COSMOtherm 0.06528599605522682 Cantera 0.0 Catalyst 0.10907297830374753 Classical Simulations 1.0 Conformers 7.889546351084812E-4 Crystallization 0.07593688362919132 DFTB Plus 0.00611439842209073 DMol3 0.18205128205128204 DPD 0.003254437869822485 Discover 0.0038461538461538464 Forcite 0.5517751479289941 GULP 0.024556213017751478 Kinetix 1.972386587771203E-4 LUDI 0.003747534516765286 LibDock 0.06341222879684418 LigandFit 0.005128205128205128 MCSS 3.944773175542406E-4 MODELER 0.18037475345167653 MesoDyn 0.001183431952662722 Mesocite 0.004043392504930967 Mesoscale 0.007593688362919132 Modules 0.0 Morphology 0.01814595660749507 ONETEP 0.0010848126232741618 Polymorph 0.0021696252465483235 QMERA 1.972386587771203E-4 QSAR 0.001183431952662722 Quantum Mechanics 0.5764299802761341 Reflex 0.05512820512820513 Reflex Plus 8.875739644970414E-4 Semi-empirical 0.007889546351084813 Sorption 0.05680473372781065 Synthia 0.001282051282051282 TURBOMOLE 4.930966469428008E-4 VAMP 0.0013806706114398422 Visualization 0.7514792899408284 X-Cell 0.0013806706114398422 ZDOCK 0.026528599605522684

Year

2022 0.11355766669626209 2023 0.24798011187072716 2024 0.7100239722986771 2025 1.0 2026 0.37734173843558555 2027 0.0

Keywords

target 1.0 potential 0.2714710978806594 docking 0.19536144310658907 analysis 0.18785266805882614 visualization 0.17878882125560935 between 0.15684009419291775 novel 0.09610343448704847 energy 0.0958368507575421 cell 0.06691251610610033 binding 0.06149198027280402 promising 0.05855955924823388 activity 0.04434176034122717 stability 0.03843248767050251 performance 0.036033234104945126 experimental 0.03176789443284311 interaction 0.030123961434220466 synthesized 0.0264362198427156 effective 0.020793530901497312 mechanism 0.019993779712978183 development 0.016350468743057716 including 0.015506286932954192 synthesis 0.006975607588750167 protein 0.0055093970764651 design 0.001244057404363087 chemical 0.0
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