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Application

Discovery Studio 1.0 Materials Studio 0.8423541776142932 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.058537497662240506 Amorphous Cell 0.2650084159341687 Blends 0.002618290630259959 CASTEP 0.34280905180475035 CDOCKER 0.19169627828688984 CHARMm 0.2986721526089396 COMPASS 0.33158780624649337 COMPASS III 0.09538058724518421 COSMObase 0.004114456704694221 COSMOconf 0.005610622779128483 COSMOmic 1.870207593042828E-4 COSMOperm 0.0014961660744342623 COSMOplex 1.870207593042828E-4 COSMOquick 9.351037965214139E-4 COSMOtherm 0.06433514120067327 Catalyst 0.11258649710117823 Classical Simulations 1.0 Conformers 5.610622779128483E-4 Crystallization 0.07050682625771461 DFTB Plus 0.005423602019824201 DMol3 0.1552272302225547 DPD 0.002618290630259959 Discover 0.0037404151860856555 Forcite 0.5088834860669534 GULP 0.01945015896764541 Kinetix 3.740415186085656E-4 LUDI 0.003927435945389938 LibDock 0.07948382270432018 LigandFit 0.005049560501215635 MCSS 1.870207593042828E-4 MODELER 0.2541612118945203 MesoDyn 7.480830372171312E-4 Mesocite 0.0020572283523471106 Mesoscale 0.005236581260519918 Modules 0.0 Morphology 0.017205909855994014 ONETEP 0.0011221245558256966 Polymorph 0.0022442491116513932 QMERA 0.0 QSAR 7.480830372171312E-4 Quantum Mechanics 0.4888722648213952 Reflex 0.05012156349354779 Reflex Plus 0.0011221245558256966 Semi-empirical 0.00673274733495418 Sorption 0.056480269309893395 Synthia 0.001683186833738545 TURBOMOLE 1.870207593042828E-4 VAMP 9.351037965214139E-4 Visualization 0.8415934168692725 X-Cell 0.0011221245558256966 ZDOCK 0.03104544604451094

Year

2023 0.15699847708708292 2024 0.46365775993354563 2025 1.0 2026 0.463519313304721 2027 0.0

Keywords

target 1.0 potential 0.2902087170042971 docking 0.23388581952117865 analysis 0.19743707796193985 visualization 0.18953345610804173 between 0.13459177409453651 novel 0.1002915899324739 binding 0.08440761203192143 promising 0.07596685082872928 activity 0.062461632903621854 energy 0.06223143032535298 cell 0.05348373235113567 stability 0.03276550030693677 synthesized 0.028084714548802948 development 0.023787599754450585 interaction 0.02371086556169429 including 0.02156230816451811 protein 0.020334561080417434 effective 0.019260282381829343 performance 0.019260282381829343 mechanism 0.01596071209330878 synthesis 0.012737875997544506 experimental 0.011203192142418661 vitro 0.001841620626151013 silico 0.0
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