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Application

Discovery Studio 0.8675413933145892 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06773450586264657 Amorphous Cell 0.28528056951423786 Blends 0.0024078726968174203 CASTEP 0.3953098827470687 CDOCKER 0.14981155778894473 CHARMm 0.23806532663316582 COMPASS 0.3682998324958124 COMPASS III 0.08636934673366835 COSMObase 0.0036641541038525964 COSMOconf 0.0043969849246231155 COSMOmic 1.0469011725293132E-4 COSMOperm 0.0013609715242881072 COSMOplex 2.0938023450586265E-4 COSMOquick 0.0014656616415410384 COSMOtherm 0.06522194304857622 Cantera 0.0 Catalyst 0.10332914572864321 Classical Simulations 1.0 Conformers 8.375209380234506E-4 Crystallization 0.07631909547738694 DFTB Plus 0.005653266331658292 DMol3 0.17860134003350084 DPD 0.0024078726968174203 Discover 0.0033500837520938024 Forcite 0.5490996649916248 GULP 0.024392797319932998 Kinetix 3.14070351758794E-4 LUDI 0.003559463986599665 LibDock 0.0641750418760469 LigandFit 0.004292294807370184 MCSS 5.234505862646566E-4 MODELER 0.18770938023450587 MesoDyn 9.422110552763819E-4 Mesocite 0.0036641541038525964 Mesoscale 0.006595477386934673 Modules 0.0 Morphology 0.01832077051926298 ONETEP 0.0010469011725293131 Polymorph 0.0019891122278056952 QMERA 1.0469011725293132E-4 QSAR 0.0010469011725293131 Quantum Mechanics 0.5625 Reflex 0.05538107202680067 Reflex Plus 9.422110552763819E-4 Semi-empirical 0.007537688442211055 Sorption 0.05841708542713568 Synthia 0.0014656616415410384 TURBOMOLE 6.28140703517588E-4 VAMP 0.00157035175879397 Visualization 0.7476968174204355 X-Cell 0.0013609715242881072 ZDOCK 0.025020938023450585

Year

2022 3.5211267605633805E-4 2023 0.2743838028169014 2024 0.6213028169014084 2025 1.0 2026 0.3742077464788732 2027 0.0

Keywords

target 1.0 potential 0.2792981786974349 docking 0.19791170020024793 analysis 0.1909030227901211 visualization 0.18060455802422046 between 0.15733765614570422 novel 0.09697720987889769 energy 0.09597597024887956 cell 0.06517593210641746 promising 0.06231524744922285 binding 0.060217412033946795 activity 0.04300562601315915 performance 0.03947744826928578 stability 0.03857156479450748 experimental 0.03165824353962048 interaction 0.030800038142462096 synthesized 0.02755792886430819 effective 0.02064460760942119 mechanism 0.018975874892724325 development 0.01806999141794603 including 0.01802231334032612 synthesis 0.006722608944407362 protein 0.006198150090588347 design 0.0016210546390769524 enhanced 0.0
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