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Application

Discovery Studio 1.0 Materials Studio 0.6835217132659132 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04377682403433476 Amorphous Cell 0.24206008583690988 Blends 8.583690987124463E-4 CASTEP 0.19570815450643778 CDOCKER 0.20085836909871244 CHARMm 0.3218884120171674 COMPASS 0.3098712446351931 COMPASS III 0.1072961373390558 COSMObase 0.002575107296137339 COSMOconf 0.011158798283261802 COSMOmic 0.0 COSMOperm 0.0 COSMOplex 8.583690987124463E-4 COSMOtherm 0.06437768240343347 Catalyst 0.09871244635193133 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07296137339055794 DFTB Plus 0.0017167381974248926 DMol3 0.096137339055794 DPD 0.0017167381974248926 Discover 0.0034334763948497852 Forcite 0.48497854077253216 GULP 0.008583690987124463 Kinetix 0.0 LUDI 0.0017167381974248926 LibDock 0.08412017167381974 LigandFit 0.0034334763948497852 MODELER 0.296137339055794 Mesocite 0.004291845493562232 Mesoscale 0.006008583690987125 Morphology 0.01888412017167382 ONETEP 0.0017167381974248926 Polymorph 8.583690987124463E-4 Quantum Mechanics 0.2918454935622318 Reflex 0.04978540772532189 Semi-empirical 0.0017167381974248926 Sorption 0.05665236051502146 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.7991416309012875 X-Cell 0.0 ZDOCK 0.034334763948497854

Year

2025 1.0 2026 0.738558352402746 2027 0.0

Keywords

target 1.0 potential 0.3368808841588211 docking 0.2816209578387229 analysis 0.2349570200573066 visualization 0.1981170691772411 between 0.10929185427752763 binding 0.10601719197707736 novel 0.1027425296766271 promising 0.10192386410151454 activity 0.06794924273434302 therapeutic 0.05403192795742939 cell 0.04297994269340974 stability 0.040523945968072045 including 0.03643061809250921 strong 0.03274662300450266 energy 0.019647973802701595 development 0.01882930822758903 synthesized 0.017191977077363897 mechanism 0.013507981989357348 protein 0.012279983626688497 strategy 0.012279983626688497 effective 0.009005321326238231 interaction 0.004093327875562832 enhanced 8.186655751125665E-4 performance 0.0
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