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Application

Discovery Studio 1.0 Materials Studio 0.8200218818380745 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05499438832772166 Amorphous Cell 0.26412270856715303 Blends 0.002244668911335578 CASTEP 0.285447063224841 CDOCKER 0.18817807706696596 CHARMm 0.3071455293677516 COMPASS 0.32398054620276845 COMPASS III 0.09951365506921063 COSMObase 0.0037411148522259632 COSMOconf 0.006734006734006734 COSMOmic 0.0 COSMOperm 7.482229704451926E-4 COSMOplex 3.741114852225963E-4 COSMOquick 0.0 COSMOtherm 0.05985783763561541 Catalyst 0.08829031051253274 Classical Simulations 1.0 Conformers 3.741114852225963E-4 Crystallization 0.0722035166479611 DFTB Plus 0.0018705574261129816 DMol3 0.13430602319491208 DPD 0.0014964459408903852 Discover 0.005611672278338945 Forcite 0.5013093901982791 GULP 0.013093901982790871 Kinetix 0.0 LUDI 0.004863449307893753 LibDock 0.081556303778526 LigandFit 0.004863449307893753 MCSS 3.741114852225963E-4 MODELER 0.2850729517396184 MesoDyn 7.482229704451926E-4 Mesocite 0.003367003367003367 Mesoscale 0.005611672278338945 Morphology 0.016835016835016835 ONETEP 7.482229704451926E-4 Polymorph 0.0018705574261129816 QMERA 0.0 QSAR 3.741114852225963E-4 Quantum Mechanics 0.41301907968574636 Reflex 0.052375607931163484 Reflex Plus 0.0 Semi-empirical 0.0029928918817807705 Sorption 0.0512532734754957 Synthia 7.482229704451926E-4 TURBOMOLE 0.0 VAMP 3.741114852225963E-4 Visualization 0.7545828656939768 X-Cell 0.0014964459408903852 ZDOCK 0.03254769921436588

Year

2024 0.28903857930189836 2025 1.0 2026 0.8922229026331905 2027 0.0

Keywords

target 1.0 potential 0.328868778280543 docking 0.26009049773755655 analysis 0.22914027149321267 visualization 0.18171945701357467 between 0.13520361990950228 novel 0.10461538461538461 promising 0.09701357466063348 binding 0.096289592760181 activity 0.06063348416289593 cell 0.05574660633484163 energy 0.047601809954751134 stability 0.041085972850678734 including 0.03058823529411765 strong 0.02588235294117647 development 0.02425339366515837 performance 0.01936651583710407 therapeutic 0.01809954751131222 mechanism 0.015565610859728506 effective 0.014841628959276019 synthesized 0.01411764705882353 protein 0.010316742081447963 enhanced 0.0050678733031674205 interaction 0.0028959276018099547 design 0.0
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