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Application

Discovery Studio 0.7480177608626705 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07608695652173914 Amorphous Cell 0.2814272211720227 Blends 0.0033081285444234404 CASTEP 0.5004725897920604 CDOCKER 0.14083175803402648 CHARMm 0.22589792060491493 COMPASS 0.42580340264650285 COMPASS III 0.04678638941398866 COSMObase 9.45179584120983E-4 COSMOconf 7.088846880907373E-4 COSMOmic 2.3629489603024575E-4 COSMOperm 0.0014177693761814746 COSMOplex 2.3629489603024575E-4 COSMOquick 0.0016540642722117202 COSMOtherm 0.06427221172022685 Cantera 0.0 Catalyst 0.0949905482041588 Classical Simulations 1.0 Conformers 0.0014177693761814746 Crystallization 0.08813799621928166 DFTB Plus 0.0077977315689981095 DMol3 0.23511342155009451 DPD 0.0044896030245746696 Discover 0.005907372400756144 Forcite 0.5456049149338374 GULP 0.03709829867674858 Kinetix 0.0 LUDI 0.0023629489603024575 LibDock 0.06001890359168242 LigandFit 0.004253308128544423 MCSS 7.088846880907373E-4 MODELER 0.21337429111531192 MesoDyn 0.0033081285444234404 Mesocite 0.005671077504725898 Mesoscale 0.011342155009451797 Morphology 0.018431001890359167 ONETEP 0.0011814744801512287 Polymorph 0.001890359168241966 QMERA 2.3629489603024575E-4 QSAR 0.0021266540642722116 Quantum Mechanics 0.7204631379962193 Reflex 0.06781663516068052 Semi-empirical 0.01110586011342155 Sorption 0.050330812854442346 Synthia 0.001890359168241966 TURBOMOLE 7.088846880907373E-4 VAMP 0.0025992438563327033 Visualization 0.683601134215501 X-Cell 4.725897920604915E-4 ZDOCK 0.023629489603024575

Year

2024 0.0

Keywords

target 1.0 potential 0.25415748347024647 analysis 0.1726106992586656 between 0.17120817471448607 docking 0.16559807653776798 visualization 0.13454217591664996 energy 0.09957924263674614 novel 0.08896012823081546 cell 0.05019034261671008 binding 0.043478260869565216 interaction 0.0424764576237227 experimental 0.040573031456621916 promising 0.037868162692847124 activity 0.034962933279903824 stability 0.03035463834902825 effective 0.021739130434782608 mechanism 0.0211380484872771 synthesized 0.02053696653977159 development 0.00971749148467241 chemical 0.009416950510919656 performance 0.007814065317571629 including 0.0069124423963133645 synthesis 0.004708475255459828 well 0.0036064916850330597 higher 0.0
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