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Application

Discovery Studio 1.0 Materials Studio 0.9432243786176371 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06207875133025896 Amorphous Cell 0.2751566749438335 Antibody 1.1824524062906468E-4 Blends 0.002837885775097552 CASTEP 0.4000236490481258 CDOCKER 0.18422608490008277 CHARMm 0.2641598675653305 COMPASS 0.36738796263450396 COMPASS III 0.08040676362776399 COSMObase 0.003310866737613811 COSMOconf 0.0035473572188719402 COSMOmic 1.1824524062906468E-4 COSMOperm 0.0013006976469197116 COSMOplex 3.54735721887194E-4 COSMOquick 9.459619250325174E-4 COSMOtherm 0.06680856095542155 Cantera 0.0 Catalyst 0.11469788341019274 Classical Simulations 1.0 Conformers 0.001064207165661582 Crystallization 0.07449450159631076 DFTB Plus 0.006739978715856687 DMol3 0.18363485869693744 DPD 0.0031926214969847464 Discover 0.004966300106420717 Forcite 0.5250088683930472 GULP 0.025895707697765166 Kinetix 2.3649048125812936E-4 LUDI 0.005321035828307911 LibDock 0.07413976587442356 LigandFit 0.007804185881518269 MCSS 0.001064207165661582 MODELER 0.21201371644791298 MesoDyn 0.0015371881281778408 Mesocite 0.004020338181388199 Mesoscale 0.007567695400260139 Modules 0.0 Morphology 0.018091521816246896 ONETEP 8.277166844034528E-4 Polymorph 0.0023649048125812936 QMERA 3.54735721887194E-4 QSAR 0.0013006976469197116 Quantum Mechanics 0.5717157384415277 Reflex 0.05368333924559537 Reflex Plus 8.277166844034528E-4 Semi-empirical 0.00886839304717985 Sorption 0.055693508336289464 Synthia 0.0018919238500650349 TURBOMOLE 4.729809625162587E-4 VAMP 0.0015371881281778408 Visualization 0.8915691143431477 X-Cell 0.001064207165661582 ZDOCK 0.03109849828544401

Year

2020 0.08853956737874513 2021 0.20650275426575307 2022 0.23323928523444848 2023 0.42617224237538626 2024 0.8225178019615746 2025 1.0 2026 0.513099556630391 2027 0.0

Keywords

target 1.0 potential 0.26693047485473853 docking 0.22139851733119614 visualization 0.21463634542175916 analysis 0.18378080544980965 between 0.14766579843718694 novel 0.09912843117611701 energy 0.07713884992987377 binding 0.07127830094169504 activity 0.056451612903225805 cell 0.05630134241634943 promising 0.048637547585654174 interaction 0.0347124824684432 synthesized 0.02855139250651172 experimental 0.02499499098377079 stability 0.023392105790422762 protein 0.019034261671007816 development 0.01728110599078341 mechanism 0.015928671608896012 effective 0.012772991384492085 performance 0.012672811059907835 including 0.009016229212582648 synthesis 0.00876577840112202 design 8.515327589661391E-4 chemical 0.0
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