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Application

Discovery Studio 0.8386665552677751 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06828391734052111 Amorphous Cell 0.28728661275831086 Blends 0.002583108715184187 CASTEP 0.3942048517520216 CDOCKER 0.14678796046720574 CHARMm 0.2333782569631626 COMPASS 0.36859838274932616 COMPASS III 0.08939802336028752 COSMObase 0.003930817610062893 COSMOconf 0.004492362982929021 COSMOmic 1.1230907457322552E-4 COSMOperm 0.0014600179694519318 COSMOplex 1.1230907457322552E-4 COSMOquick 0.0015723270440251573 COSMOtherm 0.06446540880503145 Cantera 0.0 Catalyst 0.09445193171608265 Classical Simulations 1.0 Conformers 6.738544474393531E-4 Crystallization 0.0761455525606469 DFTB Plus 0.005615453728661276 DMol3 0.1778975741239892 DPD 0.0024707996406109615 Discover 0.0033692722371967657 Forcite 0.5527852650494159 GULP 0.024483378256963163 Kinetix 3.3692722371967657E-4 LUDI 0.0031446540880503146 LibDock 0.06278077268643306 LigandFit 0.004043126684636119 MCSS 3.3692722371967657E-4 MODELER 0.1954177897574124 MesoDyn 0.0010107816711590297 Mesocite 0.003481581311769991 Mesoscale 0.00651392632524708 Modules 0.0 Morphology 0.018081761006289308 ONETEP 0.0011230907457322552 Polymorph 0.0019092542677448339 QMERA 1.1230907457322552E-4 QSAR 0.0010107816711590297 Quantum Mechanics 0.5605345911949685 Reflex 0.05548068283917341 Reflex Plus 0.0010107816711590297 Semi-empirical 0.007412398921832884 Sorption 0.0594115004492363 Synthia 0.0014600179694519318 TURBOMOLE 5.615453728661276E-4 VAMP 0.0014600179694519318 Visualization 0.7169811320754716 X-Cell 0.0014600179694519318 ZDOCK 0.024932614555256066

Year

2022 0.0 2023 0.19230082172204357 2024 0.5493033226152197 2025 1.0 2026 0.3798678099321186 2027 1.786352268667381E-4

Keywords

target 1.0 potential 0.2798165137614679 docking 0.19083611342785656 analysis 0.1906276063386155 visualization 0.1696726438698916 between 0.1579441201000834 energy 0.09690366972477064 novel 0.09518348623853211 cell 0.06505421184320268 promising 0.06349040867389491 binding 0.056244787322768976 performance 0.0417535446205171 activity 0.03951209341117598 stability 0.03867806505421184 experimental 0.03012927439532944 interaction 0.025907005838198497 synthesized 0.023144286905754794 effective 0.018192243536280232 including 0.017462468723936614 mechanism 0.0164720600500417 development 0.01548165137614679 enhanced 0.0029190992493744786 synthesis 0.0023978315262718933 protein 5.212677231025855E-5 design 0.0
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