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Application

Discovery Studio 0.8634039444850256 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05650684931506849 Amorphous Cell 0.2928082191780822 Blends 8.561643835616438E-4 CASTEP 0.2542808219178082 CDOCKER 0.14126712328767124 CHARMm 0.22773972602739725 COMPASS 0.3544520547945205 COMPASS III 0.12414383561643835 COSMObase 0.003424657534246575 COSMOconf 0.008561643835616438 COSMOmic 0.0 COSMOperm 8.561643835616438E-4 COSMOplex 0.0 COSMOtherm 0.0702054794520548 Catalyst 0.07106164383561644 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.08304794520547945 DFTB Plus 0.0025684931506849314 DMol3 0.11215753424657535 DPD 0.0025684931506849314 Discover 0.0059931506849315065 Forcite 0.5590753424657534 GULP 0.009417808219178082 Kinetix 0.0 LUDI 8.561643835616438E-4 LibDock 0.06164383561643835 LigandFit 8.561643835616438E-4 MODELER 0.2029109589041096 Mesocite 0.004280821917808219 Mesoscale 0.0059931506849315065 Morphology 0.016267123287671232 ONETEP 0.0017123287671232876 Polymorph 0.0017123287671232876 Quantum Mechanics 0.3647260273972603 Reflex 0.06164383561643835 Reflex Plus 0.0 Semi-empirical 0.0025684931506849314 Sorption 0.06506849315068493 Synthia 8.561643835616438E-4 TURBOMOLE 0.0 Visualization 0.6241438356164384 X-Cell 8.561643835616438E-4 ZDOCK 0.023972602739726026

Year

2025 0.8237221494102228 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.2916858061552595 analysis 0.21451538814882867 docking 0.19889756545705098 visualization 0.14882866329811667 between 0.1189710610932476 promising 0.08084519981626091 novel 0.07900780891134589 energy 0.06752411575562701 binding 0.06522737712448323 cell 0.06384933394579696 performance 0.05604042259990813 activity 0.04271933853927423 stability 0.033991731740927886 strategy 0.033991731740927886 strong 0.033991731740927886 including 0.023426734037666513 mechanism 0.017455213596692696 synthesized 0.015617822691777675 effective 0.011943040881947635 therapeutic 0.008727606798346348 design 0.005512172714745062 enhanced 0.005512172714745062 development 0.0 experimental 0.0
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