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Application

Discovery Studio 0.8724183877415057 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06038647342995169 Amorphous Cell 0.285829307568438 Blends 0.0024154589371980675 CASTEP 0.2999194847020934 CDOCKER 0.15458937198067632 CHARMm 0.24355877616747182 COMPASS 0.3530595813204509 COMPASS III 0.11473429951690821 COSMObase 0.004025764895330112 COSMOconf 0.006038647342995169 COSMOmic 0.0 COSMOperm 8.051529790660225E-4 COSMOplex 4.0257648953301127E-4 COSMOquick 0.0 COSMOtherm 0.06521739130434782 Catalyst 0.06723027375201288 Classical Simulations 1.0 Conformers 4.0257648953301127E-4 Crystallization 0.0785024154589372 DFTB Plus 0.0036231884057971015 DMol3 0.14049919484702095 DPD 0.0024154589371980675 Discover 0.004025764895330112 Forcite 0.5402576489533011 GULP 0.013687600644122383 Kinetix 0.0 LUDI 0.001610305958132045 LibDock 0.06320450885668277 LigandFit 0.00322061191626409 MODELER 0.22302737520128824 Mesocite 0.0036231884057971015 Mesoscale 0.005636070853462158 Morphology 0.017713365539452495 ONETEP 8.051529790660225E-4 Polymorph 0.002012882447665056 QMERA 4.0257648953301127E-4 Quantum Mechanics 0.4335748792270531 Reflex 0.0571658615136876 Reflex Plus 4.0257648953301127E-4 Semi-empirical 0.005233494363929146 Sorption 0.0607890499194847 Synthia 8.051529790660225E-4 TURBOMOLE 0.0 VAMP 4.0257648953301127E-4 Visualization 0.6163446054750402 X-Cell 0.001610305958132045 ZDOCK 0.026972624798711754

Year

2024 0.0 2025 0.9120399251403618 2026 1.0 2027 0.0031191515907673115

Keywords

target 1.0 potential 0.31256830601092894 analysis 0.22404371584699453 docking 0.20590163934426228 visualization 0.15191256830601094 between 0.14382513661202187 promising 0.0966120218579235 novel 0.09158469945355191 energy 0.08502732240437158 cell 0.07147540983606557 binding 0.06513661202185793 performance 0.06098360655737705 stability 0.04918032786885246 activity 0.04349726775956284 strong 0.03584699453551913 including 0.03081967213114754 enhanced 0.0273224043715847 strategy 0.0253551912568306 development 0.020765027322404372 mechanism 0.020765027322404372 effective 0.016830601092896174 synthesized 0.012896174863387979 experimental 0.01092896174863388 design 0.008743169398907104 therapeutic 0.0
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