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Application

Discovery Studio 0.9252089021262514 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0670335718216841 Amorphous Cell 0.28046230049532195 Blends 0.002531645569620253 CASTEP 0.39900935608145294 CDOCKER 0.16301596037424326 CHARMm 0.24854155200880573 COMPASS 0.3701706108970831 COMPASS III 0.08464501926252063 COSMObase 0.003632361034672537 COSMOconf 0.003632361034672537 COSMOmic 2.201430930104568E-4 COSMOperm 0.001100715465052284 COSMOplex 2.201430930104568E-4 COSMOquick 0.0014309301045679693 COSMOtherm 0.06406164006604292 Cantera 0.0 Catalyst 0.10368739680792514 Classical Simulations 1.0 Conformers 0.001100715465052284 Crystallization 0.0759493670886076 DFTB Plus 0.004512933406714365 DMol3 0.1852504127682994 DPD 0.00275178866263071 Discover 0.0047330764997248215 Forcite 0.5371491469455146 GULP 0.027077600440286186 Kinetix 2.201430930104568E-4 LUDI 0.004623004953219593 LibDock 0.06802421574023115 LigandFit 0.005943863511282334 MCSS 8.805723720418272E-4 MODELER 0.19042377545404512 MesoDyn 0.001651073197578426 Mesocite 0.003962575674188222 Mesoscale 0.007484865162355531 Modules 0.0 Morphology 0.017831590533847 ONETEP 9.906439185470555E-4 Polymorph 0.0018712162905888828 QMERA 2.201430930104568E-4 QSAR 0.001100715465052284 Quantum Mechanics 0.5711612548156302 Reflex 0.0558062740781508 Reflex Plus 7.705008255365987E-4 Semi-empirical 0.0067143643368189326 Sorption 0.05701706108970831 Synthia 0.0015410016510731975 TURBOMOLE 3.302146395156852E-4 VAMP 0.0017611447440836544 Visualization 0.7841496973032471 X-Cell 0.0013208585580627408 ZDOCK 0.027407815079801872

Year

2020 0.0 2021 0.09028649697523114 2022 0.19563976714986875 2023 0.29996575733363773 2024 0.7907773085264239 2025 1.0 2026 0.4848761556899897 2027 0.001141422212076247

Keywords

target 1.0 potential 0.26914414414414417 docking 0.2049059929494712 visualization 0.19016842929886407 analysis 0.18497845671758714 between 0.1554054054054054 novel 0.09802193497845672 energy 0.0909714061887975 binding 0.06546220133176654 cell 0.06085977281629455 promising 0.055229142185663924 activity 0.043967880924402666 interaction 0.034518213866039954 stability 0.03344104974539757 performance 0.0313846455150803 experimental 0.030601253427340384 synthesized 0.02599882491186839 mechanism 0.019193106149627888 effective 0.018850372111241676 development 0.017577359968664316 including 0.014492753623188406 protein 0.012142577359968664 synthesis 0.008519388954171562 design 0.004112808460634548 chemical 0.0
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