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Application

Discovery Studio 1.0 Materials Studio 0.9832973805855162 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06660576364089361 Amorphous Cell 0.2782160950087202 Blends 0.002574536998588157 CASTEP 0.4028735154887468 CDOCKER 0.17448716883979737 CHARMm 0.25936384021260694 COMPASS 0.3684079395399053 COMPASS III 0.07657171331284778 COSMObase 0.003072834482185865 COSMOconf 0.003571131965783573 COSMOmic 8.304958059961797E-5 COSMOperm 0.0012457437089942697 COSMOplex 2.4914874179885393E-4 COSMOquick 0.0012457437089942697 COSMOtherm 0.0637820779005066 Cantera 8.304958059961797E-5 Catalyst 0.12324557760983307 Classical Simulations 1.0 Conformers 0.0011626941283946516 Crystallization 0.0753259696038535 DFTB Plus 0.006228718544971348 DMol3 0.183041275641558 DPD 0.002906735320986629 Discover 0.004401627771779753 Forcite 0.5322647620629516 GULP 0.025662320405281953 Kinetix 2.4914874179885393E-4 LUDI 0.0054812723195747865 LibDock 0.0715887384768707 LigandFit 0.006893115189768291 MCSS 0.0012457437089942697 MODELER 0.19134623370151982 MesoDyn 0.0015779420313927414 Mesocite 0.004069429449381281 Mesoscale 0.007557511834565236 Modules 0.0 Morphology 0.018187858151316336 ONETEP 9.135453865957977E-4 Polymorph 0.0019101403537912134 QMERA 1.6609916119923594E-4 QSAR 0.0013287932895938875 Quantum Mechanics 0.5742878498463583 Reflex 0.05481272319574786 Reflex Plus 7.474462253965618E-4 Semi-empirical 0.008304958059961797 Sorption 0.05456357445394901 Synthia 0.0014948924507931236 TURBOMOLE 5.813470641973258E-4 VAMP 0.0017440411925919775 Visualization 0.8714392492317914 X-Cell 0.0011626941283946516 ZDOCK 0.03031309691886056

Year

2020 0.020080673447913013 2021 0.13048053314626448 2022 0.2094002104524728 2023 0.43765345492809543 2024 0.8524202034373904 2025 1.0 2026 0.3727639424763241 2027 0.0

Keywords

target 1.0 potential 0.2657789707908028 docking 0.2167908734503585 visualization 0.21053932822378413 analysis 0.18200120086179494 between 0.14936601561120333 novel 0.09854130611379931 energy 0.08127008794546675 binding 0.06904955320877336 cell 0.05781796347967365 activity 0.05093066789107477 promising 0.046127220711334016 interaction 0.036520326351852504 synthesized 0.02761982128350934 experimental 0.027195987708826336 stability 0.02659555681135874 protein 0.019319747112633772 performance 0.016953342987320312 mechanism 0.016211634231625048 development 0.01582312012149896 effective 0.015046091901246778 synthesis 0.010843075618973616 including 0.008723907745558578 chemical 0.0018366121569597005 design 0.0
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