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Application

Discovery Studio 1.0 Materials Studio 0.9908470143832631 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06200575125808771 Amorphous Cell 0.2805535585909418 Blends 0.002156721782890007 CASTEP 0.33752695902228613 CDOCKER 0.16930265995686555 CHARMm 0.26869158878504673 COMPASS 0.3404025880661395 COMPASS III 0.102803738317757 COSMObase 0.004493170381020848 COSMOconf 0.00593098490294752 COSMOmic 0.0 COSMOperm 3.594536304816679E-4 COSMOplex 1.7972681524083394E-4 COSMOquick 0.0010783608914450035 COSMOtherm 0.06506110711718188 Catalyst 0.08716750539180446 Classical Simulations 1.0 Conformers 3.594536304816679E-4 Crystallization 0.07027318475916607 DFTB Plus 0.003953989935298346 DMol3 0.15132997843278218 DPD 0.001976994967649173 Discover 0.0035945363048166786 Forcite 0.5249820273184759 GULP 0.019590222861250898 Kinetix 1.7972681524083394E-4 LUDI 0.0037742631200575125 LibDock 0.07278936017253775 LigandFit 0.003953989935298346 MCSS 5.391804457225018E-4 MODELER 0.25521207764198417 MesoDyn 7.189072609633358E-4 Mesocite 0.002875629043853343 Mesoscale 0.005391804457225018 Modules 0.0 Morphology 0.01599568655643422 ONETEP 7.189072609633358E-4 Polymorph 0.001976994967649173 QMERA 1.7972681524083394E-4 QSAR 5.391804457225018E-4 Quantum Mechanics 0.4798705966930266 Reflex 0.051042415528396834 Reflex Plus 7.189072609633358E-4 Semi-empirical 0.005571531272465852 Sorption 0.05625449317038102 Synthia 0.0010783608914450035 TURBOMOLE 3.594536304816679E-4 VAMP 0.0010783608914450035 Visualization 0.7190869877785766 X-Cell 0.0016175413371675054 ZDOCK 0.029475197699496764

Year

2023 0.002308136180034622 2024 0.5194748990190421 2025 1.0 2026 0.6122331217541835 2027 0.0

Keywords

target 1.0 potential 0.3005427408412483 docking 0.22048846675712347 analysis 0.2130257801899593 visualization 0.16799525101763907 between 0.14738805970149255 novel 0.09574287652645862 promising 0.08039348710990502 energy 0.07598371777476255 binding 0.07199796472184532 cell 0.061567164179104475 activity 0.04994911804613297 stability 0.0389246947082768 performance 0.036380597014925374 including 0.02154002713704206 effective 0.01687584803256445 synthesized 0.01594301221166893 mechanism 0.015603799185888738 experimental 0.015434192672998642 development 0.014416553595658074 interaction 0.014246947082767978 enhanced 0.008395522388059701 protein 0.006445047489823609 strong 0.0033073270013568522 design 0.0
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