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Application

Discovery Studio 1.0 Materials Studio 0.7792752321054208 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05043768236765319 Amorphous Cell 0.2576073363901626 Blends 0.0020842017507294707 CASTEP 0.2621925802417674 CDOCKER 0.19508128386827844 CHARMm 0.3126302626094206 COMPASS 0.3192997082117549 COMPASS III 0.10754481033764068 COSMObase 0.003751563151313047 COSMOconf 0.006252605252188412 COSMOmic 0.0 COSMOperm 4.1684035014589413E-4 COSMOplex 4.1684035014589413E-4 COSMOtherm 0.059191329720716966 Catalyst 0.0850354314297624 Classical Simulations 1.0 Conformers 4.1684035014589413E-4 Crystallization 0.06961233847436432 DFTB Plus 0.0029178824510212586 DMol3 0.12213422259274698 DPD 0.0012505210504376823 Discover 0.003334722801167153 Forcite 0.49187161317215505 GULP 0.012505210504376824 Kinetix 0.0 LUDI 0.004585243851604835 LibDock 0.08170070862859524 LigandFit 0.003751563151313047 MODELER 0.2963734889537307 Mesocite 0.003751563151313047 Mesoscale 0.004585243851604835 Morphology 0.015423092955398083 ONETEP 8.336807002917883E-4 Polymorph 0.0020842017507294707 QMERA 0.0 Quantum Mechanics 0.3793247186327636 Reflex 0.05085452271779908 Reflex Plus 0.0 Semi-empirical 0.004168403501458941 Sorption 0.05752396832013339 Synthia 8.336807002917883E-4 TURBOMOLE 0.0 VAMP 4.1684035014589413E-4 Visualization 0.7615673197165486 X-Cell 0.0012505210504376823 ZDOCK 0.03334722801167153

Year

2024 0.06584615384615385 2025 1.0 2026 0.8898461538461538 2027 0.0

Keywords

target 1.0 potential 0.35121035058430716 docking 0.2704507512520868 analysis 0.24019198664440736 visualization 0.1873956594323873 between 0.12541736227045075 binding 0.09954090150250418 promising 0.09870617696160267 novel 0.09766277128547579 activity 0.06239565943238731 cell 0.0496661101836394 energy 0.041110183639399 stability 0.03735392320534224 strong 0.03109348914858097 including 0.030258764607679466 development 0.01815525876460768 therapeutic 0.017320534223706177 performance 0.01481636060100167 effective 0.014607679465776294 protein 0.011268781302170284 mechanism 0.008555926544240401 synthesized 0.005634390651085142 interaction 0.002712854757929883 enhanced 0.001669449081803005 strategy 0.0
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