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Application

Discovery Studio 0.9470198675496688 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.055027711797308 Amorphous Cell 0.276326207442597 Blends 0.001979414093428345 CASTEP 0.30403800475059384 CDOCKER 0.1623119556611243 CHARMm 0.2596991290577989 COMPASS 0.34481393507521774 COMPASS III 0.11322248614410134 COSMObase 0.005146476642913698 COSMOconf 0.007125890736342043 COSMOmic 0.0 COSMOperm 3.95882818685669E-4 COSMOplex 3.95882818685669E-4 COSMOquick 3.95882818685669E-4 COSMOtherm 0.06373713380839272 Catalyst 0.07007125890736342 Classical Simulations 1.0 Conformers 3.95882818685669E-4 Crystallization 0.07482185273159145 DFTB Plus 0.0027711797307996833 DMol3 0.13855898653998416 DPD 0.0011876484560570072 Discover 0.00395882818685669 Forcite 0.5288994457640538 GULP 0.015439429928741092 Kinetix 0.0 LUDI 0.0023752969121140144 LibDock 0.06690419635787807 LigandFit 0.003167062549485352 MODELER 0.2391132224861441 Mesocite 0.00395882818685669 Mesoscale 0.004750593824228029 Morphology 0.0166270783847981 ONETEP 7.91765637371338E-4 Polymorph 0.003167062549485352 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.43626286619160726 Reflex 0.053840063341250986 Reflex Plus 3.95882818685669E-4 Semi-empirical 0.00395882818685669 Sorption 0.0625494853523357 Synthia 7.91765637371338E-4 TURBOMOLE 0.0 VAMP 3.95882818685669E-4 Visualization 0.6508313539192399 X-Cell 0.0011876484560570072 ZDOCK 0.02929532858273951

Year

2024 0.0111731843575419 2025 0.9615145872129113 2026 1.0 2027 0.0

Keywords

target 1.0 potential 0.32102694674305116 analysis 0.22533418204964992 docking 0.21727137704222363 visualization 0.15510290685338426 between 0.13091449183110546 promising 0.09993634627625717 novel 0.08699342244854658 energy 0.07277742414597921 binding 0.06980691703798006 cell 0.060046679397411415 performance 0.04392106938255888 activity 0.04328453214513049 stability 0.0428601739868449 strong 0.035221727137704224 including 0.02631020581370677 enhanced 0.016125610014852534 effective 0.015701251856566942 development 0.012942923827710588 strategy 0.011669849352853808 mechanism 0.008062805007426267 experimental 0.0038192234245703373 synthesized 0.002758328028856355 therapeutic 8.48716316571186E-4 design 0.0
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