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Application

Discovery Studio 1.0 Materials Studio 0.020100502512562814 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0034416826003824093 Amorphous Cell 0.009177820267686425 CASTEP 0.0030592734225621415 CDOCKER 0.21950286806883365 CHARMm 0.3724665391969407 COMPASS 0.010325047801147227 COMPASS III 0.0019120458891013384 COSMObase 0.0 COSMOconf 3.824091778202677E-4 COSMOquick 0.0 COSMOtherm 0.005353728489483747 Catalyst 0.1384321223709369 Classical Simulations 0.39923518164435945 Crystallization 0.002294455066921606 DFTB Plus 3.824091778202677E-4 DMol3 0.00803059273422562 DPD 3.824091778202677E-4 Forcite 0.01835564053537285 GULP 7.648183556405354E-4 LUDI 0.009560229445506692 LibDock 0.09560229445506692 LigandFit 0.0076481835564053535 MCSS 0.001147227533460803 MODELER 0.312810707456979 Mesocite 3.824091778202677E-4 Mesoscale 7.648183556405354E-4 Polymorph 0.0 Quantum Mechanics 0.011472275334608031 Reflex 0.0019120458891013384 Semi-empirical 3.824091778202677E-4 Sorption 7.648183556405354E-4 Visualization 1.0 X-Cell 0.0 ZDOCK 0.06386233269598471

Year

2020 0.0782380013149244 2021 0.26364234056541747 2022 0.3714661406969099 2023 0.8330046022353714 2024 1.0 2025 0.6909927679158449 2026 0.0

Keywords

protein 1.0 target 0.9682840236686391 docking 0.5751479289940828 potential 0.4307692307692308 visualization 0.41088757396449704 binding 0.3242603550295858 analysis 0.30579881656804736 activity 0.13372781065088757 novel 0.12615384615384614 interaction 0.11763313609467456 drug 0.10887573964497041 between 0.10437869822485207 silico 0.09467455621301775 treatment 0.06366863905325444 vitro 0.05846153846153846 therapeutic 0.05609467455621302 stability 0.048284023668639056 compound 0.04071005917159763 role 0.031005917159763315 development 0.030059171597633137 promising 0.02745562130177515 inhibition 0.017988165680473372 binding affinity 0.01136094674556213 including 0.0073372781065088755 effective 0.0
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