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Application

Discovery Studio 1.0 Materials Studio 0.7397678680513133 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04627249357326478 Amorphous Cell 0.258783204798629 Blends 0.001713796058269066 CASTEP 0.23393316195372751 CDOCKER 0.1919451585261354 CHARMm 0.31876606683804626 COMPASS 0.3050556983718937 COMPASS III 0.11825192802056556 COSMObase 0.002570694087403599 COSMOconf 0.006855184233076264 COSMOmic 0.0 COSMOperm 8.56898029134533E-4 COSMOtherm 0.05826906598114824 Catalyst 0.0959725792630677 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06855184233076264 DFTB Plus 0.001713796058269066 DMol3 0.09854327335047129 DPD 0.002570694087403599 Discover 0.004284490145672665 Forcite 0.493573264781491 GULP 0.007712082262210797 Kinetix 0.0 LUDI 0.001713796058269066 LibDock 0.08140531276778064 LigandFit 0.001713796058269066 MODELER 0.27335047129391604 Mesocite 0.003427592116538132 Mesoscale 0.005141388174807198 Morphology 0.012853470437017995 ONETEP 0.001713796058269066 Polymorph 0.001713796058269066 Quantum Mechanics 0.33076263924592975 Reflex 0.050556983718937444 Reflex Plus 0.0 Semi-empirical 0.001713796058269066 Sorption 0.05998286203941731 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.7866323907455013 X-Cell 0.0 ZDOCK 0.031705227077977724

Year

2025 1.0 2026 0.7897526501766784 2027 0.0

Keywords

target 1.0 potential 0.33099463475030955 docking 0.27362773421378456 analysis 0.22988031366075112 visualization 0.19645068097399918 between 0.11638464713165497 binding 0.10070160957490713 promising 0.09781262897234833 novel 0.09698720594304581 activity 0.07139909203466777 cell 0.05447791993396616 therapeutic 0.04869995872884853 strong 0.03962030540652084 including 0.039207593891869584 energy 0.03425505571605448 stability 0.03342963268675196 development 0.018159306644655385 mechanism 0.015683037556747832 performance 0.01361947998349154 strategy 0.012794056954189021 effective 0.011968633924886504 synthesized 0.011555922410235245 protein 0.005365249690466364 enhanced 0.002888980602558811 interaction 0.0
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