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Application

Discovery Studio 1.0 Materials Studio 0.821348673697667 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05090595340811044 Amorphous Cell 0.26617773943054357 Blends 8.628127696289905E-4 CASTEP 0.2722174288179465 CDOCKER 0.1915444348576359 CHARMm 0.3058671268334771 COMPASS 0.3183779119930975 COMPASS III 0.11216566005176877 COSMObase 0.004314063848144953 COSMOconf 0.006902502157031924 COSMOmic 0.0 COSMOperm 4.314063848144953E-4 COSMOplex 4.314063848144953E-4 COSMOquick 4.314063848144953E-4 COSMOtherm 0.05910267471958585 Catalyst 0.08283002588438308 Classical Simulations 1.0 Conformers 4.314063848144953E-4 Crystallization 0.07377049180327869 DFTB Plus 0.003882657463330457 DMol3 0.12510785159620363 DPD 0.0021570319240724763 Discover 0.004314063848144953 Forcite 0.4987057808455565 GULP 0.012510785159620362 Kinetix 0.0 LUDI 0.0030198446937014668 LibDock 0.07463330457290768 LigandFit 0.004314063848144953 MODELER 0.27696289905090593 Mesocite 0.003451251078515962 Mesoscale 0.005176876617773943 Morphology 0.016824849007765316 ONETEP 8.628127696289905E-4 Polymorph 0.0025884383088869713 QMERA 0.0 Quantum Mechanics 0.39214840379637617 Reflex 0.05263157894736842 Reflex Plus 8.628127696289905E-4 Semi-empirical 0.004745470232959448 Sorption 0.06169111302847282 Synthia 8.628127696289905E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7605694564279551 X-Cell 8.628127696289905E-4 ZDOCK 0.029767040552200173

Year

2024 0.12874251497005987 2025 1.0 2026 0.9005322687957419 2027 0.0

Keywords

target 1.0 potential 0.3349178910976664 docking 0.2590751944684529 analysis 0.23638720829732066 visualization 0.1905790838375108 between 0.12705272255834055 promising 0.09399308556611928 binding 0.09312878133102852 novel 0.08837510803802939 activity 0.05704407951598963 energy 0.05488331892826275 cell 0.05337078651685393 stability 0.03565254969749352 including 0.030682800345721694 strong 0.02247191011235955 performance 0.018798617113223854 effective 0.012316335350043216 development 0.011019878997407088 therapeutic 0.010587726879861712 synthesized 0.00972342264477096 mechanism 0.007778738115816767 protein 0.004753673292999135 strategy 0.004537597234226448 enhanced 0.001512532411408816 interaction 0.0
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