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Application

Discovery Studio 0.6870197300103842 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.063908613769682 Amorphous Cell 0.2516208706390861 Antibody 9.262117937635072E-4 Blends 0.012040753318925594 CASTEP 0.36400123494905834 CDOCKER 0.1571472676752084 CHARMm 0.2682926829268293 COMPASS 0.4198826798394566 COMPASS III 0.015745600493979623 COSMObase 3.0873726458783575E-4 COSMOconf 3.0873726458783575E-4 COSMOmic 3.0873726458783575E-4 COSMOperm 6.174745291756715E-4 COSMOplex 0.0 COSMOquick 3.0873726458783575E-4 COSMOtherm 0.05927755480086446 Catalyst 0.13430071009570854 Classical Simulations 1.0 Conformers 0.00216116085211485 Crystallization 0.04631058968817536 DFTB Plus 0.005557270762581044 DMol3 0.4677369558505712 DPD 0.0172892868169188 Discover 0.06545230009262118 Forcite 0.405989502933004 GULP 0.05464649583204693 Kinetix 0.0 LUDI 0.01234949058351343 LibDock 0.05155912318616857 LigandFit 0.0336523618400741 MCSS 0.0015436863229391787 MODELER 0.28218585983328187 MesoDyn 0.0086446434084594 Mesocite 0.00802716887928373 Mesoscale 0.029947514665020068 Morphology 0.021302871256560666 ONETEP 0.003704847175054029 Polymorph 0.0033961099104661933 QMERA 0.0 QSAR 0.002778635381290522 Quantum Mechanics 0.810126582278481 Reflex 0.021302871256560666 Reflex Plus 0.0030873726458783574 Semi-empirical 0.012040753318925594 Sorption 0.042914479777709166 Synthia 0.0015436863229391787 TURBOMOLE 6.174745291756715E-4 VAMP 0.005866008027168879 Visualization 0.5217659771534424 X-Cell 0.001234949058351343 ZDOCK 0.05557270762581044

Year

2002 0.0 2003 0.025100401606425703 2004 0.05321285140562249 2005 0.060240963855421686 2006 0.07228915662650602 2007 0.10943775100401607 2008 0.13152610441767068 2009 0.15863453815261044 2010 0.20783132530120482 2011 0.19678714859437751 2012 0.2319277108433735 2013 0.3885542168674699 2014 0.5030120481927711 2015 0.5431726907630522 2016 0.5461847389558233 2017 0.5110441767068273 2018 0.5873493975903614 2019 0.6977911646586346 2020 0.6937751004016064 2021 0.5491967871485943 2022 1.0 2023 0.7449799196787149 2024 0.5421686746987951 2025 0.12951807228915663 2026 0.030120481927710843

Keywords

interaction 1.0 target 0.9515669515669516 between 0.4852369852369852 energy 0.16498316498316498 docking 0.15747215747215748 binding 0.15047915047915048 analysis 0.14193214193214193 potential 0.11460761460761461 surface 0.11072261072261072 experimental 0.10748510748510748 visualization 0.0947940947940948 mechanism 0.0855995855995856 adsorption 0.08391608391608392 well 0.0685055685055685 protein 0.0628075628075628 cell 0.058793058793058794 chemical 0.053354053354053355 novel 0.03496503496503497 role 0.03483553483553484 complex 0.027583527583527584 strong 0.0259000259000259 activity 0.024605024605024606 higher 0.02072002072002072 formation 0.019036519036519036 water 0.0
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