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Application

Discovery Studio 1.0 Materials Studio 0.978290676416819 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06270049577136191 Amorphous Cell 0.2777777777777778 Blends 0.0021872265966754157 CASTEP 0.3541848935549723 CDOCKER 0.16972878390201224 CHARMm 0.27238261883931175 COMPASS 0.3428113152522601 COMPASS III 0.09434237386993292 COSMObase 0.004228638086905804 COSMOconf 0.005249343832020997 COSMOmic 0.0 COSMOperm 5.832604257801109E-4 COSMOplex 1.4581510644502772E-4 COSMOquick 0.0014581510644502771 COSMOtherm 0.063137941090697 Cantera 0.0 Catalyst 0.10221638961796442 Classical Simulations 1.0 Conformers 7.290755322251386E-4 Crystallization 0.07130358705161854 DFTB Plus 0.004520268299795859 DMol3 0.15864683581219013 DPD 0.0021872265966754157 Discover 0.003499562554680665 Forcite 0.526538349372995 GULP 0.019539224263633713 Kinetix 1.4581510644502772E-4 LUDI 0.004082822980460776 LibDock 0.0715952172645086 LigandFit 0.004082822980460776 MCSS 5.832604257801109E-4 MODELER 0.23126275882181394 MesoDyn 7.290755322251386E-4 Mesocite 0.003353747448235637 Mesoscale 0.0058326042578011085 Modules 0.0 Morphology 0.01603966170895305 ONETEP 0.001020705745115194 Polymorph 0.00189559638378536 QMERA 1.4581510644502772E-4 QSAR 7.290755322251386E-4 Quantum Mechanics 0.5029163021289006 Reflex 0.05220180810731992 Reflex Plus 8.748906386701663E-4 Semi-empirical 0.006124234470691163 Sorption 0.05555555555555555 Synthia 8.748906386701663E-4 TURBOMOLE 4.374453193350831E-4 VAMP 0.0011665208515602217 Visualization 0.7687372411781861 X-Cell 0.0016039661708953047 ZDOCK 0.028142315543890347

Year

2022 0.0 2023 0.1510032876091146 2024 0.48327853984808977 2025 1.0 2026 0.4824849790273212 2027 0.0011336583153837433

Keywords

target 1.0 potential 0.29684252865857746 docking 0.2266541529798217 analysis 0.20788362271234162 visualization 0.1854260239994637 between 0.14982905409934974 novel 0.09874639672856472 energy 0.07736139974525709 promising 0.0724006167459945 binding 0.07219950392170008 cell 0.06006569685593618 activity 0.051350807803177585 stability 0.039418113561708115 performance 0.031909901454716096 synthesized 0.022055373064289067 interaction 0.021183884159013205 including 0.02037943286183549 experimental 0.019977207213246632 effective 0.01689347724073205 mechanism 0.015887913119259904 development 0.014748273781591473 protein 0.013005295971039754 synthesis 0.0048267077830663006 enhanced 0.0014077897700610043 design 0.0
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