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Application

Discovery Studio 0.963 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05256916996047431 Amorphous Cell 0.2798418972332016 Blends 0.001976284584980237 CASTEP 0.29446640316205536 CDOCKER 0.16363636363636364 CHARMm 0.2675889328063241 COMPASS 0.33992094861660077 COMPASS III 0.1150197628458498 COSMObase 0.0047430830039525695 COSMOconf 0.0067193675889328066 COSMOmic 0.0 COSMOperm 3.952569169960474E-4 COSMOplex 3.952569169960474E-4 COSMOquick 7.905138339920949E-4 COSMOtherm 0.062450592885375494 Catalyst 0.06956521739130435 Classical Simulations 1.0 Conformers 3.952569169960474E-4 Crystallization 0.07233201581027668 DFTB Plus 0.003952569169960474 DMol3 0.1422924901185771 DPD 0.001976284584980237 Discover 0.005533596837944664 Forcite 0.5280632411067193 GULP 0.016600790513833993 Kinetix 0.0 LUDI 0.002766798418972332 LibDock 0.0683794466403162 LigandFit 0.0035573122529644267 MODELER 0.24426877470355732 MesoDyn 7.905138339920949E-4 Mesocite 0.003952569169960474 Mesoscale 0.006324110671936759 Morphology 0.015810276679841896 ONETEP 7.905138339920949E-4 Polymorph 0.0035573122529644267 QMERA 0.0 QSAR 3.952569169960474E-4 Quantum Mechanics 0.42924901185770753 Reflex 0.05177865612648221 Reflex Plus 3.952569169960474E-4 Semi-empirical 0.004347826086956522 Sorption 0.06086956521739131 Synthia 0.0011857707509881424 TURBOMOLE 0.0 Visualization 0.6533596837944664 X-Cell 0.0011857707509881424 ZDOCK 0.02806324110671937

Year

2024 0.1316912972085386 2025 1.0 2026 0.9556650246305419 2027 0.0

Keywords

target 1.0 potential 0.31125827814569534 analysis 0.21750827814569537 docking 0.21668046357615894 visualization 0.15128311258278146 between 0.13990066225165562 promising 0.09209437086092716 novel 0.08857615894039735 energy 0.07243377483443708 binding 0.06870860927152318 cell 0.06312086092715231 activity 0.03952814569536424 stability 0.03890728476821192 performance 0.036630794701986755 including 0.028352649006622516 strong 0.026076158940397352 effective 0.013451986754966887 development 0.012624172185430464 enhanced 0.010140728476821192 strategy 0.008071192052980132 synthesized 0.007657284768211921 therapeutic 0.004759933774834437 mechanism 0.0041390728476821195 experimental 6.208609271523179E-4 design 0.0
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