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Application

Discovery Studio 0.9018715225088518 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05627705627705628 Amorphous Cell 0.2850958565244279 Blends 0.0012368583797155227 CASTEP 0.3116883116883117 CDOCKER 0.16202844774273345 CHARMm 0.2541743970315399 COMPASS 0.3562152133580705 COMPASS III 0.10513296227581942 COSMObase 0.006184291898577613 COSMOconf 0.0055658627087198514 COSMOperm 0.0 COSMOplex 0.0 COSMOquick 6.184291898577613E-4 COSMOtherm 0.06369820655534941 Catalyst 0.0686456400742115 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.07173778602350031 DFTB Plus 0.0037105751391465678 DMol3 0.15769944341372913 DPD 0.0018552875695732839 Discover 0.0074211502782931356 Forcite 0.5374149659863946 GULP 0.01855287569573284 Kinetix 0.0 LUDI 0.0037105751391465678 LibDock 0.06988249845392702 LigandFit 0.0030921459492888066 MODELER 0.25170068027210885 MesoDyn 0.0012368583797155227 Mesocite 0.0024737167594310453 Mesoscale 0.004947433518862091 Morphology 0.015460729746444033 ONETEP 0.0 Polymorph 0.004329004329004329 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.45763760049474334 Reflex 0.05009276437847866 Reflex Plus 6.184291898577613E-4 Semi-empirical 0.004329004329004329 Sorption 0.06493506493506493 Synthia 0.0 Visualization 0.6252319109461967 X-Cell 0.0018552875695732839 ZDOCK 0.02906617192331478

Year

2024 0.08667004561581348 2025 1.0 2026 0.973137354282818 2027 0.0

Keywords

target 1.0 potential 0.31982872200263507 analysis 0.230566534914361 docking 0.21212121212121213 visualization 0.1429512516469038 between 0.1373517786561265 promising 0.10046113306982872 novel 0.09453227931488802 energy 0.09189723320158102 binding 0.07707509881422925 cell 0.06488801054018445 performance 0.04743083003952569 stability 0.04314888010540185 activity 0.039525691699604744 strong 0.03491436100131752 including 0.03392621870882741 effective 0.019762845849802372 enhanced 0.01844532279314888 experimental 0.014822134387351778 strategy 0.011857707509881422 synthesized 0.009881422924901186 development 0.008234519104084322 mechanism 0.007246376811594203 efficient 0.0036231884057971015 therapeutic 0.0
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