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Application

Discovery Studio 1.0 Materials Studio 0.7846153846153846 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05089538171536286 Amorphous Cell 0.2530631479736098 Blends 0.00235626767200754 CASTEP 0.25918944392082943 CDOCKER 0.1946277097078228 CHARMm 0.3133836003770028 COMPASS 0.3157398680490104 COMPASS III 0.11027332704995288 COSMObase 0.003298774740810556 COSMOconf 0.00706880301602262 COSMOmic 0.0 COSMOperm 4.71253534401508E-4 COSMOplex 4.71253534401508E-4 COSMOtherm 0.05984919886899152 Catalyst 0.08671065032987747 Classical Simulations 1.0 Conformers 4.71253534401508E-4 Crystallization 0.0711592836946277 DFTB Plus 0.002827521206409048 DMol3 0.12158341187558906 DPD 0.001413760603204524 Discover 0.003298774740810556 Forcite 0.49528746465598494 GULP 0.0117813383600377 Kinetix 0.0 LUDI 0.003298774740810556 LibDock 0.08105560791705937 LigandFit 0.003770028275212064 MODELER 0.28934967012252594 Mesocite 0.004241281809613572 Mesoscale 0.0051837888784165885 Morphology 0.01649387370405278 ONETEP 9.42507068803016E-4 Polymorph 0.001885014137606032 QMERA 0.0 Quantum Mechanics 0.3760603204524034 Reflex 0.05136663524976438 Reflex Plus 0.0 Semi-empirical 0.003770028275212064 Sorption 0.05560791705937795 Synthia 9.42507068803016E-4 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7573044297832233 X-Cell 0.001413760603204524 ZDOCK 0.03440150801131008

Year

2024 0.01675041876046901 2025 1.0 2026 0.8552763819095477 2027 0.0

Keywords

target 1.0 potential 0.34507042253521125 docking 0.2661971830985915 analysis 0.23380281690140844 visualization 0.18403755868544602 between 0.12276995305164319 promising 0.09765258215962441 novel 0.09718309859154929 binding 0.09553990610328639 activity 0.06173708920187793 cell 0.046948356807511735 energy 0.038262910798122066 stability 0.036854460093896715 including 0.030985915492957747 strong 0.030751173708920186 therapeutic 0.020892018779342724 development 0.01784037558685446 performance 0.012206572769953052 effective 0.011502347417840376 mechanism 0.009389671361502348 protein 0.007981220657276996 synthesized 0.005868544600938967 enhanced 0.0032863849765258214 strategy 0.0032863849765258214 interaction 0.0
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