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Application

Discovery Studio 1.0 Materials Studio 0.8833138856476079 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05042016806722689 Amorphous Cell 0.28711484593837533 Blends 0.0014005602240896359 CASTEP 0.226890756302521 CDOCKER 0.16526610644257703 CHARMm 0.27170868347338933 COMPASS 0.3473389355742297 COMPASS III 0.12324929971988796 COSMObase 0.004201680672268907 COSMOconf 0.011204481792717087 COSMOperm 0.0 COSMOtherm 0.07703081232492998 Catalyst 0.07142857142857142 Classical Simulations 1.0 Crystallization 0.0784313725490196 DFTB Plus 0.0014005602240896359 DMol3 0.08543417366946779 DPD 0.0028011204481792717 Discover 0.004201680672268907 Forcite 0.530812324929972 GULP 0.0028011204481792717 Kinetix 0.0 LUDI 0.0 LibDock 0.06162464985994398 LigandFit 0.0 MODELER 0.22969187675070027 Mesocite 0.004201680672268907 Mesoscale 0.0070028011204481795 Morphology 0.01680672268907563 ONETEP 0.0014005602240896359 Polymorph 0.0 Quantum Mechanics 0.3137254901960784 Reflex 0.05742296918767507 Reflex Plus 0.0 Semi-empirical 0.0014005602240896359 Sorption 0.058823529411764705 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.7240896358543417 X-Cell 0.0 ZDOCK 0.02661064425770308

Year

2025 1.0 2026 0.9481236203090507 2027 0.0

Keywords

target 1.0 potential 0.293408929836995 docking 0.24663359319631467 analysis 0.21757618710134657 visualization 0.18710134656272148 between 0.11410347271438696 binding 0.0956768249468462 promising 0.09142452161587526 novel 0.07937632884479093 activity 0.07158043940467754 cell 0.06165839829907867 energy 0.0446491849751949 stability 0.041105598866052445 strong 0.03543586109142452 including 0.028348688873139617 performance 0.026931254429482635 therapeutic 0.024096385542168676 strategy 0.019844082211197732 effective 0.01771793054571226 mechanism 0.01771793054571226 enhanced 0.007795889440113395 design 0.004961020552799433 development 0.004961020552799433 synthesized 0.004961020552799433 interaction 0.0
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