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Application

Discovery Studio 1.0 Materials Studio 0.9553520320549513 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06687797147385104 Amorphous Cell 0.27583201267828844 Blends 0.002456418383518225 CASTEP 0.40491283676703643 CDOCKER 0.17963549920760696 CHARMm 0.26442155309033283 COMPASS 0.36735340729001587 COMPASS III 0.07496038034865293 COSMObase 0.003011093502377179 COSMOconf 0.0034072900158478607 COSMOmic 2.3771790808240888E-4 COSMOperm 0.001347068145800317 COSMOplex 3.169572107765452E-4 COSMOquick 0.0014263074484944533 COSMOtherm 0.0624405705229794 Cantera 7.92393026941363E-5 Catalyst 0.1277337559429477 Classical Simulations 1.0 Conformers 0.0010301109350237718 Crystallization 0.07535657686212362 DFTB Plus 0.005863708399366086 DMol3 0.18431061806656102 DPD 0.0030903328050713155 Discover 0.00427892234548336 Forcite 0.5294770206022187 GULP 0.025752773375594295 Kinetix 2.3771790808240888E-4 LUDI 0.005942947702060222 LibDock 0.07297939778129953 LigandFit 0.007765451664025357 MCSS 0.001347068145800317 MODELER 0.19199683042789223 MesoDyn 0.001584786053882726 Mesocite 0.004199683042789224 Mesoscale 0.007765451664025357 Modules 0.0 Morphology 0.017432646592709985 ONETEP 9.508716323296355E-4 Polymorph 0.0019809825673534074 QMERA 2.3771790808240888E-4 QSAR 0.0012678288431061807 Quantum Mechanics 0.5770206022187004 Reflex 0.05554675118858954 Reflex Plus 7.131537242472267E-4 Semi-empirical 0.00792393026941363 Sorption 0.05419968304278922 Synthia 0.0014263074484944533 TURBOMOLE 5.546751188589541E-4 VAMP 0.0016640253565768622 Visualization 0.8925515055467512 X-Cell 0.0011885895404120444 ZDOCK 0.030824088748019018

Year

2020 0.0 2021 0.16598127570216117 2022 0.2997637588590428 2023 0.3799107533467495 2024 0.9814506955989151 2025 1.0 2026 0.37256102896141396 2027 6.124770321112959E-4

Keywords

target 1.0 potential 0.2656546489563567 docking 0.22074636306135356 visualization 0.21505376344086022 analysis 0.18093145577416025 between 0.14933919238323512 novel 0.1007690002996105 energy 0.07972968474316722 binding 0.07147375079063883 cell 0.057325476880055924 activity 0.053164219847531544 promising 0.04470854555744199 interaction 0.03914910616198941 synthesized 0.02882918872132894 stability 0.026765205233196844 experimental 0.02659875495189587 protein 0.020506674656280168 mechanism 0.01671160824261793 effective 0.01644528779253637 development 0.015746196611072273 performance 0.014913945204567396 synthesis 0.013149572222777057 including 0.00872199474017111 chemical 6.325110689437065E-4 design 0.0
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