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Application

Discovery Studio 1.0 Materials Studio 0.758722649319929 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.050335570469798654 Amorphous Cell 0.25419463087248323 Blends 0.0020973154362416107 CASTEP 0.26048657718120805 CDOCKER 0.19924496644295303 CHARMm 0.31921140939597314 COMPASS 0.3158557046979866 COMPASS III 0.10738255033557047 COSMObase 0.0037751677852348995 COSMOconf 0.006291946308724832 COSMOmic 0.0 COSMOperm 4.1946308724832214E-4 COSMOplex 4.1946308724832214E-4 COSMOtherm 0.0587248322147651 Catalyst 0.08431208053691275 Classical Simulations 1.0 Conformers 4.1946308724832214E-4 Crystallization 0.06837248322147652 DFTB Plus 0.002936241610738255 DMol3 0.12248322147651007 DPD 0.0012583892617449664 Discover 0.002936241610738255 Forcite 0.4865771812080537 GULP 0.012583892617449664 Kinetix 0.0 LUDI 0.0037751677852348995 LibDock 0.08137583892617449 LigandFit 0.0037751677852348995 MODELER 0.29949664429530204 Mesocite 0.0037751677852348995 Mesoscale 0.004614093959731544 Morphology 0.015100671140939598 ONETEP 8.389261744966443E-4 Polymorph 0.0020973154362416107 QMERA 0.0 Quantum Mechanics 0.37793624161073824 Reflex 0.04991610738255033 Reflex Plus 0.0 Semi-empirical 0.0041946308724832215 Sorption 0.05620805369127517 Synthia 8.389261744966443E-4 TURBOMOLE 0.0 VAMP 4.1946308724832214E-4 Visualization 0.7789429530201343 X-Cell 0.0012583892617449664 ZDOCK 0.03355704697986577

Year

2024 0.07121026894865526 2025 1.0 2026 0.8713325183374083 2027 0.0

Keywords

target 1.0 potential 0.3532472939217319 docking 0.27747710241465445 analysis 0.24104912572855952 visualization 0.1946294754371357 between 0.12635303913405496 binding 0.10470441298917568 promising 0.09970857618651124 novel 0.09845961698584513 activity 0.06473771856786012 cell 0.04808492922564529 energy 0.042256452955870105 stability 0.038925895087427144 including 0.03288925895087427 strong 0.03184845961698585 therapeutic 0.020191507077435472 development 0.01706910907577019 effective 0.015403830141548709 protein 0.014363030807660283 performance 0.013946711074104912 mechanism 0.011032472939217318 synthesized 0.007701915070774354 interaction 0.006661115736885929 enhanced 6.244796003330558E-4 strategy 0.0
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