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Application

Discovery Studio 1.0 Materials Studio 0.7896875 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0690127970749543 Amorphous Cell 0.2595978062157221 Blends 4.570383912248629E-4 CASTEP 0.33318098720292505 CDOCKER 0.20338208409506398 CHARMm 0.32769652650822667 COMPASS 0.3249542961608775 COMPASS III 0.07312614259597806 COSMObase 0.0022851919561243145 COSMOconf 0.005484460694698354 COSMOperm 4.570383912248629E-4 COSMOquick 0.002742230347349177 COSMOtherm 0.05941499085923217 Catalyst 0.09369287020109689 Classical Simulations 1.0 Crystallization 0.0603290676416819 DFTB Plus 0.004570383912248629 DMol3 0.1503656307129799 DPD 9.140767824497258E-4 Discover 0.0018281535648994515 Forcite 0.49588665447897623 GULP 0.015996343692870202 LUDI 0.004113345521023766 LibDock 0.08592321755027423 LigandFit 0.004113345521023766 MODELER 0.3180987202925046 MesoDyn 0.0013711151736745886 Mesocite 0.0022851919561243145 Mesoscale 0.005027422303473492 Morphology 0.015082266910420476 ONETEP 0.0 Polymorph 0.0 QSAR 0.0013711151736745886 Quantum Mechanics 0.473491773308958 Reflex 0.04341864716636198 Reflex Plus 4.570383912248629E-4 Semi-empirical 0.005941499085923218 Sorption 0.040676416819012795 Synthia 0.0 TURBOMOLE 4.570383912248629E-4 VAMP 9.140767824497258E-4 Visualization 0.7943327239488117 X-Cell 0.0018281535648994515 ZDOCK 0.035191956124314444

Year

2025 0.0

Keywords

target 1.0 potential 0.34128691570506553 docking 0.253080383336593 analysis 0.21552904361431643 visualization 0.17367494621552904 between 0.14238216311363192 novel 0.10972032075102679 binding 0.09974574613729709 promising 0.09231371015059651 activity 0.06434578525327596 cell 0.05221983180129083 energy 0.05104635243496969 including 0.043809896342655974 stability 0.041854097398787406 interaction 0.026012125953451985 therapeutic 0.024838646587130843 development 0.024643066692743985 strong 0.020535888910619988 effective 0.018188930177977704 protein 0.017602190494817132 synthesized 0.01388617250146685 synthesis 0.008801095247408566 mechanism 0.008214355564247995 experimental 0.002346958732642284 silico 0.0
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