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Application

Discovery Studio 1.0 Materials Studio 0.7878028404344194 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.052795031055900624 Amorphous Cell 0.2593167701863354 Blends 0.0019409937888198758 CASTEP 0.2701863354037267 CDOCKER 0.1956521739130435 CHARMm 0.31288819875776397 COMPASS 0.3171583850931677 COMPASS III 0.10753105590062112 COSMObase 0.0038819875776397515 COSMOconf 0.006211180124223602 COSMOmic 0.0 COSMOperm 3.8819875776397513E-4 COSMOplex 3.8819875776397513E-4 COSMOquick 3.8819875776397513E-4 COSMOtherm 0.05861801242236025 Catalyst 0.08346273291925466 Classical Simulations 1.0 Conformers 3.8819875776397513E-4 Crystallization 0.07181677018633541 DFTB Plus 0.002717391304347826 DMol3 0.12577639751552794 DPD 0.0011645962732919255 Discover 0.0034937888198757765 Forcite 0.49145962732919257 GULP 0.01281055900621118 Kinetix 0.0 LUDI 0.004658385093167702 LibDock 0.0811335403726708 LigandFit 0.0038819875776397515 MODELER 0.29930124223602483 Mesocite 0.0034937888198757765 Mesoscale 0.004270186335403727 Morphology 0.016304347826086956 ONETEP 7.763975155279503E-4 Polymorph 0.0019409937888198758 QMERA 3.8819875776397513E-4 Quantum Mechanics 0.390139751552795 Reflex 0.05240683229813665 Reflex Plus 0.0 Semi-empirical 0.004270186335403727 Sorption 0.059006211180124224 Synthia 7.763975155279503E-4 TURBOMOLE 0.0 VAMP 3.8819875776397513E-4 Visualization 0.764751552795031 X-Cell 0.0011645962732919255 ZDOCK 0.03299689440993789

Year

2024 0.10790725326991676 2025 1.0 2026 0.9337098692033293 2027 0.0

Keywords

target 1.0 potential 0.3492248062015504 docking 0.2717054263565892 analysis 0.24108527131782945 visualization 0.18972868217054265 between 0.12906976744186047 binding 0.10251937984496123 promising 0.09844961240310078 novel 0.09806201550387597 activity 0.0631782945736434 cell 0.05251937984496124 energy 0.04670542635658915 stability 0.040310077519379844 strong 0.030813953488372094 including 0.03062015503875969 development 0.017248062015503877 effective 0.015310077519379845 performance 0.01434108527131783 therapeutic 0.013953488372093023 protein 0.012596899224806201 mechanism 0.010852713178294573 synthesized 0.008527131782945736 interaction 0.005813953488372093 enhanced 0.0017441860465116279 strategy 0.0
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