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Application

Discovery Studio 1.0 Materials Studio 0.9663477045478981 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06445749440715884 Amorphous Cell 0.276006711409396 Blends 0.0020973154362416107 CASTEP 0.3600391498881432 CDOCKER 0.17044183445190156 CHARMm 0.27432885906040266 COMPASS 0.3432606263982103 COMPASS III 0.09004474272930649 COSMObase 0.0039149888143176735 COSMOconf 0.0047539149888143175 COSMOmic 0.0 COSMOperm 8.389261744966443E-4 COSMOplex 1.3982102908277405E-4 COSMOquick 0.0013982102908277406 COSMOtherm 0.06291946308724833 Cantera 0.0 Catalyst 0.11143736017897092 Classical Simulations 1.0 Conformers 6.991051454138703E-4 Crystallization 0.07172818791946309 DFTB Plus 0.004334451901565996 DMol3 0.1606543624161074 DPD 0.002656599552572707 Discover 0.003635346756152125 Forcite 0.52167225950783 GULP 0.02097315436241611 Kinetix 1.3982102908277405E-4 LUDI 0.004893736017897092 LibDock 0.07130872483221476 LigandFit 0.0050335570469798654 MCSS 6.991051454138703E-4 MODELER 0.22021812080536912 MesoDyn 8.389261744966443E-4 Mesocite 0.003495525727069351 Mesoscale 0.006431767337807606 Modules 0.0 Morphology 0.017197986577181208 ONETEP 0.0011185682326621924 Polymorph 0.0016778523489932886 QMERA 1.3982102908277405E-4 QSAR 8.389261744966443E-4 Quantum Mechanics 0.5109060402684564 Reflex 0.05201342281879195 Reflex Plus 6.991051454138703E-4 Semi-empirical 0.006012304250559284 Sorption 0.05467002237136465 Synthia 8.389261744966443E-4 TURBOMOLE 4.1946308724832214E-4 VAMP 0.0012583892617449664 Visualization 0.7930648769574944 X-Cell 0.0015380313199105146 ZDOCK 0.02866331096196868

Year

2022 0.019981519981519983 2023 0.23088473088473088 2024 0.528990528990529 2025 1.0 2026 0.48925848925848925 2027 0.0

Keywords

target 1.0 potential 0.29506953223767385 docking 0.23059418457648545 analysis 0.2047408343868521 visualization 0.19469026548672566 between 0.15012642225031606 novel 0.10094816687737042 energy 0.08040455120101138 binding 0.07692793931731985 promising 0.06927939317319848 cell 0.06118836915297092 activity 0.05429835651074589 stability 0.04026548672566372 performance 0.030720606826801517 interaction 0.027560050568900128 synthesized 0.026232616940581543 experimental 0.022503160556257902 including 0.02130214917825537 protein 0.019469026548672566 effective 0.01940581542351454 development 0.018963337547408345 mechanism 0.018584070796460177 synthesis 0.010240202275600506 design 0.003350189633375474 enhanced 0.0
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