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Application

Discovery Studio 1.0 Materials Studio 0.6152808988764045 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.046875 Amorphous Cell 0.24076704545454544 Blends 0.0014204545454545455 CASTEP 0.21164772727272727 CDOCKER 0.22727272727272727 CHARMm 0.36079545454545453 COMPASS 0.2805397727272727 COMPASS III 0.11150568181818182 COSMObase 0.002130681818181818 COSMOconf 0.006392045454545455 COSMOmic 0.0 COSMOperm 7.102272727272727E-4 COSMOtherm 0.053267045454545456 Catalyst 0.10298295454545454 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06534090909090909 DFTB Plus 0.0014204545454545455 DMol3 0.09232954545454546 DPD 0.002130681818181818 Discover 0.004971590909090909 Forcite 0.4630681818181818 GULP 0.007102272727272727 Kinetix 0.0 LUDI 0.002130681818181818 LibDock 0.09232954545454546 LigandFit 0.005681818181818182 MODELER 0.3153409090909091 Mesocite 0.002840909090909091 Mesoscale 0.004261363636363636 Morphology 0.013494318181818182 ONETEP 0.0014204545454545455 Polymorph 0.0014204545454545455 Quantum Mechanics 0.3025568181818182 Reflex 0.048295454545454544 Reflex Plus 0.0 Semi-empirical 0.0014204545454545455 Sorption 0.05539772727272727 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.8501420454545454 X-Cell 0.0 ZDOCK 0.040482954545454544

Year

2025 1.0 2026 0.6602703881378107 2027 0.0

Keywords

target 1.0 potential 0.35056328694499667 docking 0.29721669980119286 analysis 0.23757455268389663 visualization 0.2094102054340623 binding 0.110337972166998 between 0.11000662690523526 novel 0.10072895957587806 promising 0.09211398277004638 activity 0.07322730284956926 therapeutic 0.050033134526176276 cell 0.04009277667329357 strong 0.03512259774685222 including 0.03346587143803843 stability 0.02286282306163022 development 0.021206096752816435 protein 0.019880715705765408 energy 0.01954937044400265 synthesized 0.012591119946984758 mechanism 0.006958250497017893 effective 0.005301524188204109 inhibition 0.0016567263088137839 synthesis 0.0016567263088137839 interaction 3.313452617627568E-4 silico 0.0
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