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Application

Discovery Studio 1.0 Materials Studio 0.98434151969672 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05943204868154158 Amorphous Cell 0.28113590263691685 Blends 0.002434077079107505 CASTEP 0.3265720081135903 CDOCKER 0.17099391480730222 CHARMm 0.2718052738336714 COMPASS 0.33772819472616633 COMPASS III 0.10547667342799188 COSMObase 0.005070993914807302 COSMOconf 0.0058823529411764705 COSMOmic 0.0 COSMOperm 4.0567951318458417E-4 COSMOplex 2.0283975659229209E-4 COSMOquick 0.0010141987829614604 COSMOtherm 0.06511156186612577 Catalyst 0.08296146044624747 Classical Simulations 1.0 Conformers 4.0567951318458417E-4 Crystallization 0.07160243407707911 DFTB Plus 0.0038539553752535496 DMol3 0.14929006085192698 DPD 0.002231237322515213 Discover 0.004056795131845842 Forcite 0.5251521298174442 GULP 0.01764705882352941 Kinetix 2.0283975659229209E-4 LUDI 0.0038539553752535496 LibDock 0.0718052738336714 LigandFit 0.004259634888438134 MCSS 2.0283975659229209E-4 MODELER 0.2539553752535497 MesoDyn 6.085192697768763E-4 Mesocite 0.0030425963488843813 Mesoscale 0.005679513184584178 Modules 0.0 Morphology 0.016227180527383367 ONETEP 8.113590263691683E-4 Polymorph 0.002231237322515213 QMERA 2.0283975659229209E-4 QSAR 4.0567951318458417E-4 Quantum Mechanics 0.46713995943204867 Reflex 0.051926977687626774 Reflex Plus 8.113590263691683E-4 Semi-empirical 0.005476673427991886 Sorption 0.05740365111561866 Synthia 0.0010141987829614604 TURBOMOLE 2.0283975659229209E-4 VAMP 0.0010141987829614604 Visualization 0.7101419878296146 X-Cell 0.0012170385395537525 ZDOCK 0.028803245436105476

Year

2023 0.0 2024 0.458560794044665 2025 1.0 2026 0.6928039702233251 2027 1.6542597187758478E-4

Keywords

target 1.0 potential 0.3042673421667966 docking 0.2249610288386594 analysis 0.2166796570537802 visualization 0.16777084957131722 between 0.14740841777084956 novel 0.09596648480124707 promising 0.08710054559625877 energy 0.07511691348402183 binding 0.07462977396726422 cell 0.06352299298519096 activity 0.051344505066250976 stability 0.04053000779423227 performance 0.03848402182385035 including 0.02367498051441933 synthesized 0.018316445830085737 effective 0.017731878409976618 development 0.017537022603273576 mechanism 0.01685502727981294 experimental 0.01539360872954014 enhanced 0.012763055339049104 interaction 0.011399064692127826 strong 0.00906079501169135 protein 0.0037996882307092753 design 0.0
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