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Application

Discovery Studio 0.697503671071953 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05525197328476017 Amorphous Cell 0.3017607771706132 Blends 0.0018214936247723133 CASTEP 0.2859744990892532 CDOCKER 0.12446873102610807 CHARMm 0.20279295689131754 COMPASS 0.366120218579235 COMPASS III 0.13175470552519733 COSMObase 0.0036429872495446266 COSMOconf 0.008500303582270795 COSMOmic 0.0 COSMOperm 6.071645415907711E-4 COSMOplex 6.071645415907711E-4 COSMOtherm 0.06982392228293868 Catalyst 0.06314511232544019 Classical Simulations 1.0 Conformers 6.071645415907711E-4 Crystallization 0.08378870673952642 DFTB Plus 0.004250151791135397 DMol3 0.13600485731633272 DPD 0.0018214936247723133 Discover 0.004250151791135397 Forcite 0.5761991499696417 GULP 0.012143290831815421 Kinetix 0.0 LUDI 0.0012143290831815423 LibDock 0.052823315118397086 LigandFit 0.0012143290831815423 MODELER 0.1742562234365513 Mesocite 0.004250151791135397 Mesoscale 0.00546448087431694 Morphology 0.020036429872495445 ONETEP 0.0012143290831815423 Polymorph 0.0024286581663630845 QMERA 0.0 Quantum Mechanics 0.4177292046144505 Reflex 0.05950212507589557 Reflex Plus 0.0 Semi-empirical 0.004857316332726169 Sorption 0.0692167577413479 Synthia 0.0012143290831815423 TURBOMOLE 0.0 Visualization 0.5440194292653309 X-Cell 0.0012143290831815423 ZDOCK 0.021250758955676987

Year

2025 0.6741424802110818 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.2732962447844228 analysis 0.19853963838664812 docking 0.163769123783032 between 0.1359527121001391 visualization 0.1213490959666203 energy 0.09422809457579973 promising 0.08484005563282336 performance 0.07858136300417246 cell 0.07267037552155772 novel 0.06571627260083449 binding 0.04242002781641168 strategy 0.03929068150208623 stability 0.03824756606397774 strong 0.02851182197496523 activity 0.024687065368567455 enhanced 0.019819193324061197 mechanism 0.019819193324061197 including 0.019471488178025034 experimental 0.013560500695410291 design 0.010083449235048678 effective 0.0076495132127955496 synthesized 0.004520166898470098 efficient 0.002086230876216968 development 0.0
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