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Application

Discovery Studio 1.0 Materials Studio 0.7697047496790758 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0533625730994152 Amorphous Cell 0.2547514619883041 Blends 0.0021929824561403508 CASTEP 0.2807017543859649 CDOCKER 0.19809941520467836 CHARMm 0.3201754385964912 COMPASS 0.31798245614035087 COMPASS III 0.1023391812865497 COSMObase 0.0043859649122807015 COSMOconf 0.0062134502923976605 COSMOmic 0.0 COSMOperm 7.309941520467836E-4 COSMOplex 3.654970760233918E-4 COSMOquick 0.0 COSMOtherm 0.06030701754385965 Catalyst 0.08333333333333333 Classical Simulations 1.0 Conformers 3.654970760233918E-4 Crystallization 0.06834795321637427 DFTB Plus 0.0025584795321637425 DMol3 0.12719298245614036 DPD 0.0014619883040935672 Discover 0.003654970760233918 Forcite 0.483187134502924 GULP 0.013157894736842105 Kinetix 0.0 LUDI 0.004751461988304093 LibDock 0.08114035087719298 LigandFit 0.003654970760233918 MODELER 0.3019005847953216 Mesocite 0.003654970760233918 Mesoscale 0.004751461988304093 Morphology 0.015350877192982455 ONETEP 7.309941520467836E-4 Polymorph 0.0021929824561403508 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.4016812865497076 Reflex 0.049707602339181284 Reflex Plus 0.0 Semi-empirical 0.003654970760233918 Sorption 0.054093567251461985 Synthia 7.309941520467836E-4 TURBOMOLE 0.0 VAMP 3.654970760233918E-4 Visualization 0.7839912280701754 X-Cell 0.0010964912280701754 ZDOCK 0.034722222222222224

Year

2024 0.17243319268635723 2025 1.0 2026 0.9035161744022504 2027 0.0

Keywords

target 1.0 potential 0.3523604379824089 docking 0.28073954406749235 analysis 0.24322383773110753 visualization 0.1969125830192066 between 0.1295997127984204 binding 0.1085980972895351 novel 0.10572608149344821 promising 0.1026745647101059 activity 0.06731287022078622 cell 0.052055286304074674 energy 0.046490755699156346 stability 0.045054747801112904 strong 0.032130676718721954 including 0.031771674744211095 effective 0.02136061748339616 therapeutic 0.02010411057260815 development 0.01992460958535272 protein 0.01723209477652127 performance 0.016873092802010412 synthesized 0.014001077005923533 mechanism 0.009513552324537785 interaction 0.008077544426494346 enhanced 0.005385029617662897 strategy 0.0
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