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Application

Discovery Studio 0.8163662071403323 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.062149427866277765 Amorphous Cell 0.2939196769127216 Blends 0.002243661655822302 CASTEP 0.3423827686784833 CDOCKER 0.14740857078752523 CHARMm 0.237828135517164 COMPASS 0.3506843168050258 COMPASS III 0.11240744895669733 COSMObase 0.0053847879739735245 COSMOconf 0.0065066188018846755 COSMOmic 0.0 COSMOperm 4.487323311644604E-4 COSMOplex 2.243661655822302E-4 COSMOquick 0.001121830827911151 COSMOtherm 0.06977787749607359 Catalyst 0.06663675117792237 Classical Simulations 1.0 Conformers 4.487323311644604E-4 Crystallization 0.07404083464213597 DFTB Plus 0.003141126318151223 DMol3 0.15929997756338343 DPD 0.0024680278214045323 Discover 0.004487323311644604 Forcite 0.5474534440206417 GULP 0.018846757908907337 Kinetix 2.243661655822302E-4 LUDI 0.003814224814897913 LibDock 0.06170069553511331 LigandFit 0.003141126318151223 MCSS 0.0 MODELER 0.22234687009199014 MesoDyn 6.730984967466906E-4 Mesocite 0.003141126318151223 Mesoscale 0.006057886470720216 Modules 0.0 Morphology 0.016378730087502805 ONETEP 8.974646623289208E-4 Polymorph 0.002019295490240072 QMERA 2.243661655822302E-4 QSAR 6.730984967466906E-4 Quantum Mechanics 0.49158626879066636 Reflex 0.05407224590531748 Reflex Plus 6.730984967466906E-4 Semi-empirical 0.004711689477226834 Sorption 0.05878393538254431 Synthia 0.001121830827911151 TURBOMOLE 0.0 VAMP 8.974646623289208E-4 Visualization 0.6154363921920575 X-Cell 0.0015705631590756115 ZDOCK 0.024231545882880862

Year

2024 0.23910358214222693 2025 1.0 2026 0.7407799541203458 2027 0.0

Keywords

target 1.0 potential 0.2904963888570446 analysis 0.20589246818755016 docking 0.18617448125644848 between 0.1484580992777714 visualization 0.13561847988077497 energy 0.09079445145018916 promising 0.0832282471626734 novel 0.08299896824486988 cell 0.06775192021093661 performance 0.057434368909778745 binding 0.05617333486185945 stability 0.04287515762925599 activity 0.03049409606786656 including 0.020061905307806948 enhanced 0.019374068554396422 experimental 0.016852000458557836 strong 0.015705605869540295 effective 0.01524704803393328 synthesized 0.011120027513470137 development 0.009629714547747335 mechanism 0.00859795941763155 strategy 0.005731972945087699 design 0.004012381061561389 interaction 0.0
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