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Application

Discovery Studio 1.0 Materials Studio 0.6908212560386473 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.055984555984555984 Amorphous Cell 0.24517374517374518 Blends 0.0019305019305019305 CASTEP 0.2702702702702703 CDOCKER 0.21467181467181468 CHARMm 0.34864864864864864 COMPASS 0.29922779922779924 COMPASS III 0.10193050193050193 COSMObase 0.003861003861003861 COSMOconf 0.0069498069498069494 COSMOmic 0.0 COSMOperm 7.722007722007722E-4 COSMOplex 3.861003861003861E-4 COSMOquick 7.722007722007722E-4 COSMOtherm 0.06177606177606178 Catalyst 0.09343629343629344 Classical Simulations 1.0 Conformers 3.861003861003861E-4 Crystallization 0.0694980694980695 DFTB Plus 0.0034749034749034747 DMol3 0.12432432432432433 DPD 0.0019305019305019305 Discover 0.003861003861003861 Forcite 0.4648648648648649 GULP 0.012355212355212355 Kinetix 0.0 LUDI 0.005405405405405406 LibDock 0.08803088803088803 LigandFit 0.003861003861003861 MODELER 0.3204633204633205 MesoDyn 0.0 Mesocite 0.0023166023166023165 Mesoscale 0.0042471042471042475 Morphology 0.016216216216216217 ONETEP 7.722007722007722E-4 Polymorph 0.0023166023166023165 QMERA 0.0 QSAR 3.861003861003861E-4 Quantum Mechanics 0.3891891891891892 Reflex 0.04903474903474903 Reflex Plus 7.722007722007722E-4 Semi-empirical 0.004633204633204633 Sorption 0.055598455598455596 Synthia 7.722007722007722E-4 TURBOMOLE 0.0 VAMP 3.861003861003861E-4 Visualization 0.8181467181467181 X-Cell 0.0011583011583011582 ZDOCK 0.03745173745173745

Year

2024 0.20740948638787537 2025 1.0 2026 0.7931518383384788 2027 0.0

Keywords

target 1.0 potential 0.3139630054018661 docking 0.26092650188246846 analysis 0.21263709281388116 visualization 0.17760680962514322 between 0.10787362907186118 binding 0.1057456212146014 novel 0.09363234571943035 promising 0.08921263709281388 activity 0.06400392862989032 cell 0.04206907840890489 energy 0.03388443280405958 stability 0.031429039122605994 including 0.028318873792764772 strong 0.022753314781469962 protein 0.020134228187919462 therapeutic 0.01947945653953184 development 0.018824684891144212 effective 0.017842527418562775 synthesized 0.013259125879849402 interaction 0.004910787362907186 synthesis 0.00474709445081028 mechanism 0.0044197086266164675 performance 6.547716483876248E-4 silico 0.0
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