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Application

Discovery Studio 1.0 Materials Studio 0.4800644381796214 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04888152444076222 Amorphous Cell 0.18475559237779618 Blends 0.0 CASTEP 0.28086164043082024 CDOCKER 0.37033968516984256 CHARMm 0.44656172328086163 COMPASS 0.2874896437448219 COMPASS III 0.0695940347970174 COSMObase 8.285004142502071E-4 COSMOconf 0.0 COSMOperm 0.0 COSMOquick 0.0016570008285004142 COSMOtherm 0.04059652029826015 Catalyst 0.2535211267605634 Classical Simulations 1.0 Crystallization 0.050538525269262634 DMol3 0.13173156586578294 DPD 8.285004142502071E-4 Discover 8.285004142502071E-4 Forcite 0.40347970173985087 GULP 0.007456503728251864 LUDI 0.009113504556752278 LibDock 0.13173156586578294 LigandFit 0.009942004971002486 MCSS 8.285004142502071E-4 MODELER 0.3985086992543496 MesoDyn 0.0 Mesocite 0.0 Mesoscale 0.0024855012427506215 Morphology 0.009113504556752278 ONETEP 0.0 Polymorph 0.0033140016570008283 QSAR 0.0 Quantum Mechanics 0.4067937033968517 Reflex 0.03645401822700911 Reflex Plus 8.285004142502071E-4 Sorption 0.021541010770505385 Synthia 0.0 Visualization 0.9809444904722452 X-Cell 0.0 ZDOCK 0.0347970173985087

Year

2023 0.14254265272427077 2024 0.6543753439735829 2025 1.0 2026 0.3109521188772702 2027 0.0

Keywords

novel 1.0 target 0.9446540880503145 potential 0.3723270440251572 docking 0.3220125786163522 analysis 0.18176100628930816 visualization 0.16981132075471697 promising 0.13647798742138365 synthesized 0.12924528301886792 activity 0.10283018867924529 binding 0.09685534591194969 synthesis 0.09654088050314466 development 0.09025157232704402 between 0.07169811320754717 compound 0.06918238993710692 therapeutic 0.031132075471698113 protein 0.02169811320754717 vitro 0.02169811320754717 effective 0.021069182389937106 drug 0.016981132075471698 design 0.01509433962264151 stability 0.012264150943396227 inhibition 0.008176100628930818 potent 0.007232704402515723 cell 0.0047169811320754715 including 0.0
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