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Application

Discovery Studio 1.0 Materials Studio 0.9271500259560478 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0625 Amorphous Cell 0.27290925266903915 Blends 0.0015569395017793594 CASTEP 0.32139679715302494 CDOCKER 0.1737099644128114 CHARMm 0.28247330960854095 COMPASS 0.33674377224199287 COMPASS III 0.09942170818505339 COSMObase 0.004448398576512456 COSMOconf 0.006227758007117438 COSMOmic 0.0 COSMOperm 4.4483985765124553E-4 COSMOplex 2.2241992882562276E-4 COSMOquick 0.001112099644128114 COSMOtherm 0.06227758007117438 Catalyst 0.08696619217081851 Classical Simulations 1.0 Conformers 2.2241992882562276E-4 Crystallization 0.07006227758007118 DFTB Plus 0.0035587188612099642 DMol3 0.14612989323843417 DPD 0.0013345195729537367 Discover 0.00400355871886121 Forcite 0.5171263345195729 GULP 0.018016014234875446 Kinetix 0.0 LUDI 0.004225978647686833 LibDock 0.07406583629893239 LigandFit 0.003781138790035587 MCSS 6.672597864768683E-4 MODELER 0.27112989323843417 MesoDyn 6.672597864768683E-4 Mesocite 0.002891459074733096 Mesoscale 0.004893238434163701 Morphology 0.016236654804270462 ONETEP 4.4483985765124553E-4 Polymorph 0.0017793594306049821 QMERA 2.2241992882562276E-4 QSAR 4.4483985765124553E-4 Quantum Mechanics 0.45907473309608543 Reflex 0.05093416370106762 Reflex Plus 4.4483985765124553E-4 Semi-empirical 0.005115658362989324 Sorption 0.05449288256227758 Synthia 6.672597864768683E-4 TURBOMOLE 2.2241992882562276E-4 VAMP 8.896797153024911E-4 Visualization 0.7339857651245552 X-Cell 0.0017793594306049821 ZDOCK 0.03047153024911032

Year

2023 0.0010718113612004287 2024 0.4381922115041086 2025 1.0 2026 0.7002500893176135 2027 0.0

Keywords

target 1.0 potential 0.3154018571886007 docking 0.23556409435371972 analysis 0.22264916213043015 visualization 0.1745116874799872 between 0.1456932436759526 novel 0.09638168427793788 promising 0.08357348703170028 binding 0.08207919735297257 energy 0.06873732522147508 cell 0.05881097235564094 activity 0.05133952396200235 stability 0.03735724196819298 performance 0.027324154125306862 including 0.023801899882591526 effective 0.01611698153484897 synthesized 0.013235137154445511 development 0.012914932223289571 interaction 0.011634112498665812 mechanism 0.011420642544561852 protein 0.010566762728146013 strong 0.009926352865834135 experimental 0.007151243462482655 enhanced 0.005230013875547016 design 0.0
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