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Application

Discovery Studio 0.9167772411230827 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06977929929346638 Amorphous Cell 0.2820307378541773 Blends 0.003204894748342924 CASTEP 0.42632384004661666 CDOCKER 0.16330395513147353 CHARMm 0.24109549129579722 COMPASS 0.385242916454221 COMPASS III 0.07298419404180931 COSMObase 0.002840702163303955 COSMOconf 0.0032777332653507176 COSMOmic 2.1851555102338116E-4 COSMOperm 0.0012382547891324933 COSMOplex 2.913540680311749E-4 COSMOquick 0.0015296088571636682 COSMOtherm 0.06591885789205332 Cantera 7.283851700779372E-5 Catalyst 0.1160317575934154 Classical Simulations 1.0 Conformers 0.0013839318231480807 Crystallization 0.07735450506227694 DFTB Plus 0.005972758394639085 DMol3 0.1962269648189963 DPD 0.003204894748342924 Discover 0.0052443732245611475 Forcite 0.5439580450142035 GULP 0.028261344599023963 Kinetix 2.1851555102338116E-4 LUDI 0.005098696190545561 LibDock 0.06672008157913904 LigandFit 0.006919659115740403 MCSS 0.0011654162721246996 MODELER 0.17546798747177508 MesoDyn 0.0017481244081870493 Mesocite 0.0045888265714910045 Mesoscale 0.008376429455896279 Modules 0.0 Morphology 0.01799111370092505 ONETEP 0.0012382547891324933 Polymorph 0.0019666399592104303 QMERA 2.1851555102338116E-4 QSAR 0.0015296088571636682 Quantum Mechanics 0.6095855488382257 Reflex 0.05703255881710249 Reflex Plus 6.555466530701434E-4 Semi-empirical 0.008157913904872896 Sorption 0.05521159589190764 Synthia 0.0013839318231480807 TURBOMOLE 5.827081360623498E-4 VAMP 0.001820962925194843 Visualization 0.8254060747323184 X-Cell 0.0011654162721246996 ZDOCK 0.028479860150047345

Year

2020 0.004486582578515195 2021 0.14975027512062983 2022 0.28832642004571235 2023 0.5159569965292474 2024 1.0 2025 0.9681706594429865 2026 0.3598577837975112 2027 0.0

Keywords

target 1.0 potential 0.2523130782695674 docking 0.19783070767691924 visualization 0.1951425356339085 analysis 0.17123030757689423 between 0.1539134783695924 novel 0.09449237309327332 energy 0.08877219304826206 binding 0.05976494123530883 cell 0.05832708177044261 activity 0.04369842460615154 promising 0.04101025256314079 interaction 0.03729057264316079 experimental 0.031289072268067014 stability 0.0263503375843961 synthesized 0.025662665666416604 performance 0.018660915228807202 mechanism 0.017629407351837958 effective 0.015816454113528382 development 0.013534633658414603 protein 0.01037759439859965 synthesis 0.008377094273568392 including 0.0058764691172793196 chemical 0.0037509377344336083 design 0.0
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