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Application

Discovery Studio 0.991722710812209 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06550413592667113 Amorphous Cell 0.2781131231835457 Blends 0.002570981444220881 CASTEP 0.37860496311200537 CDOCKER 0.16521350324167225 CHARMm 0.2602280348759222 COMPASS 0.3553543483120948 COMPASS III 0.08674267829197407 COSMObase 0.003688799463447351 COSMOconf 0.004471272076905879 COSMOmic 1.11781801922647E-4 COSMOperm 0.0013413816230717639 COSMOplex 1.11781801922647E-4 COSMOquick 0.0013413816230717639 COSMOtherm 0.061815336463223784 Cantera 0.0 Catalyst 0.11647663760339817 Classical Simulations 1.0 Conformers 7.82472613458529E-4 Crystallization 0.07366420746702437 DFTB Plus 0.005030181086519115 DMol3 0.1695729935166555 DPD 0.0024591996422982337 Discover 0.0034652358596020567 Forcite 0.5358819584171697 GULP 0.022803487592219986 Kinetix 3.3534540576794097E-4 LUDI 0.004471272076905879 LibDock 0.06975184439973173 LigandFit 0.0049183992845964674 MCSS 5.589090096132349E-4 MODELER 0.2024368432819137 MesoDyn 8.94254415381176E-4 Mesocite 0.0032416722557567627 Mesoscale 0.0061479991057455845 Modules 0.0 Morphology 0.017773306505700873 ONETEP 0.0011178180192264698 Polymorph 0.0019002906326849988 QMERA 1.11781801922647E-4 QSAR 8.94254415381176E-4 Quantum Mechanics 0.5381175944556226 Reflex 0.05331991951710262 Reflex Plus 0.001006036217303823 Semi-empirical 0.00670690811535882 Sorption 0.05667337357478203 Synthia 0.0012295998211491169 TURBOMOLE 5.589090096132349E-4 VAMP 0.0013413816230717639 Visualization 0.8054996646545942 X-Cell 0.0013413816230717639 ZDOCK 0.027945450480661747

Year

2022 0.03786434214110596 2023 0.27912467084354853 2024 0.5458094978661582 2025 1.0 2026 0.38599836556796513 2027 0.0

Keywords

target 1.0 potential 0.2897405308678795 docking 0.22298439208668855 analysis 0.19987076250124267 visualization 0.19962222884978625 between 0.15414057063326375 novel 0.10338999900586539 energy 0.08827915299731584 binding 0.07530569639129138 promising 0.06581171090565663 cell 0.06461874937866587 activity 0.05562183119594393 stability 0.03971567750273387 interaction 0.03514265831593598 performance 0.033651456407197536 synthesized 0.03101699970175962 experimental 0.026791927627000695 effective 0.021622427676707426 mechanism 0.021572720946416143 development 0.02107565364350333 including 0.02072770653146436 protein 0.01839149020777413 synthesis 0.012526096033402923 design 0.0035291778506809823 chemical 0.0
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