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Application

Discovery Studio 0.9933584905660378 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05938198064035741 Amorphous Cell 0.2870439314966493 Blends 0.0022338049143708115 CASTEP 0.33860759493670883 CDOCKER 0.16623231571109456 CHARMm 0.2645197319434103 COMPASS 0.3423306031273269 COMPASS III 0.10461653015636635 COSMObase 0.004839910647803425 COSMOconf 0.005956813104988831 COSMOmic 0.0 COSMOperm 3.7230081906180194E-4 COSMOplex 1.8615040953090097E-4 COSMOquick 0.0014892032762472078 COSMOtherm 0.06645569620253164 Catalyst 0.08637379002233805 Classical Simulations 1.0 Conformers 3.7230081906180194E-4 Crystallization 0.07092330603127327 DFTB Plus 0.00390915860014892 DMol3 0.1550632911392405 DPD 0.0020476545048399106 Discover 0.00390915860014892 Forcite 0.5294117647058824 GULP 0.019918093819806405 Kinetix 1.8615040953090097E-4 LUDI 0.003536857781087118 LibDock 0.06850335070737155 LigandFit 0.004467609828741623 MCSS 1.8615040953090097E-4 MODELER 0.2513030528667163 MesoDyn 5.584512285927029E-4 Mesocite 0.0027922561429635146 Mesoscale 0.0052122114668652275 Modules 0.0 Morphology 0.01675353685778109 ONETEP 9.307520476545049E-4 Polymorph 0.0022338049143708115 QMERA 1.8615040953090097E-4 QSAR 7.446016381236039E-4 Quantum Mechanics 0.48399106478034254 Reflex 0.051005212211466866 Reflex Plus 7.446016381236039E-4 Semi-empirical 0.005584512285927029 Sorption 0.0578927773641102 Synthia 0.0011169024571854058 TURBOMOLE 1.8615040953090097E-4 VAMP 0.0011169024571854058 Visualization 0.719843633655994 X-Cell 0.0011169024571854058 ZDOCK 0.028294862248696945

Year

2023 0.0152683071449748 2024 0.4768751852949896 2025 1.0 2026 0.6248147050103765 2027 0.0

Keywords

target 1.0 potential 0.30335487297512614 docking 0.21935026998318138 analysis 0.21191466761087013 visualization 0.16845180136319376 between 0.14711870408072938 novel 0.09577764008143755 promising 0.0824112596264495 energy 0.07940161104718067 binding 0.0709922988404001 cell 0.06417632999911481 activity 0.0490395680269098 stability 0.03868283615119058 performance 0.038505797999468884 including 0.021421616358325218 synthesized 0.018057891475612993 development 0.01699566256528282 experimental 0.01611047180667434 mechanism 0.015313800123926706 effective 0.015048242896344162 interaction 0.010091174648136674 enhanced 0.009737098344693282 strong 0.004868549172346641 protein 0.0012392670620518722 design 0.0
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