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Application

Discovery Studio 1.0 Materials Studio 0.6280454791553871 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06870937790157845 Amorphous Cell 0.22469823584029713 Blends 0.003714020427112349 CASTEP 0.372330547818013 CDOCKER 0.19962859795728877 CHARMm 0.3519034354688951 COMPASS 0.308263695450325 COMPASS III 0.08913649025069638 COSMObase 0.008356545961002786 COSMOconf 0.004642525533890436 COSMOmic 0.0 COSMOperm 0.0018570102135561746 COSMOquick 9.285051067780873E-4 COSMOtherm 0.0947075208913649 Catalyst 0.14113277623026926 Classical Simulations 0.9702878365831012 Conformers 0.0 Crystallization 0.04549675023212628 DFTB Plus 0.007428040854224698 DMol3 0.1374187558031569 DPD 9.285051067780873E-4 Discover 0.0 Forcite 0.4428969359331476 GULP 0.02135561745589601 Kinetix 0.0 LUDI 0.0064995357474466105 LibDock 0.09192200557103064 LigandFit 0.004642525533890436 MCSS 0.0 MODELER 0.3286908077994429 Mesocite 0.004642525533890436 Mesoscale 0.005571030640668524 Morphology 0.009285051067780872 ONETEP 9.285051067780873E-4 Polymorph 9.285051067780873E-4 QSAR 0.0018570102135561746 Quantum Mechanics 0.5032497678737233 Reflex 0.032497678737233054 Reflex Plus 9.285051067780873E-4 Semi-empirical 0.007428040854224698 Sorption 0.03806870937790158 Synthia 0.0 Visualization 1.0 X-Cell 0.0 ZDOCK 0.025998142989786442

Year

2023 0.18246869409660108 2024 0.5181872391174717 2025 1.0 2026 0.2808586762075134 2027 0.0

Keywords

including 1.0 target 0.9377224199288257 potential 0.41459074733096085 docking 0.31743772241992885 analysis 0.29750889679715303 visualization 0.20533807829181494 binding 0.1284697508896797 between 0.1199288256227758 promising 0.10960854092526691 novel 0.099644128113879 activity 0.06832740213523132 therapeutic 0.06263345195729537 energy 0.052669039145907474 interaction 0.042704626334519574 protein 0.04234875444839858 stability 0.04092526690391459 development 0.03238434163701068 experimental 0.02384341637010676 silico 0.020284697508896797 strong 0.0199288256227758 effective 0.018505338078291814 cell 0.018149466192170817 treatment 0.006405693950177936 drug 0.00498220640569395 chemical 0.0
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