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Application

Discovery Studio 1.0 Materials Studio 0.960625 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07558823529411765 Amorphous Cell 0.2529411764705882 Blends 0.003235294117647059 CASTEP 0.4388235294117647 CDOCKER 0.17529411764705882 CHARMm 0.2811764705882353 COMPASS 0.39705882352941174 COMPASS III 0.042352941176470586 COSMObase 8.823529411764706E-4 COSMOconf 5.88235294117647E-4 COSMOmic 2.941176470588235E-4 COSMOperm 0.001176470588235294 COSMOplex 0.0 COSMOquick 0.0014705882352941176 COSMOtherm 0.05617647058823529 Catalyst 0.11823529411764706 Classical Simulations 1.0 Conformers 0.0014705882352941176 Crystallization 0.08470588235294117 DFTB Plus 0.006470588235294118 DMol3 0.20941176470588235 DPD 0.003823529411764706 Discover 0.005 Forcite 0.5061764705882353 GULP 0.033823529411764704 Kinetix 0.0 LUDI 0.0029411764705882353 LibDock 0.07470588235294118 LigandFit 0.005294117647058823 MCSS 8.823529411764706E-4 MODELER 0.2655882352941176 MesoDyn 0.0029411764705882353 Mesocite 0.005 Mesoscale 0.01 Morphology 0.01735294117647059 ONETEP 0.0014705882352941176 Polymorph 0.0014705882352941176 QMERA 0.0 QSAR 0.0017647058823529412 Quantum Mechanics 0.6344117647058823 Reflex 0.06558823529411764 Semi-empirical 0.009411764705882352 Sorption 0.0488235294117647 Synthia 0.0017647058823529412 TURBOMOLE 5.88235294117647E-4 VAMP 0.002352941176470588 Visualization 0.8276470588235294 X-Cell 2.941176470588235E-4 ZDOCK 0.029411764705882353

Year

2024 0.0

Keywords

target 1.0 potential 0.284496032216037 docking 0.22551225867582614 analysis 0.1936515456591259 visualization 0.18097832523984367 between 0.163922776264361 novel 0.1047021200994907 energy 0.07935567926092621 binding 0.07568399857870425 activity 0.06206324766078408 interaction 0.05175885348809665 promising 0.047731848868885464 cell 0.04524458130996092 experimental 0.03209759564135971 stability 0.03209759564135971 protein 0.029136562833116192 synthesized 0.027952149709818786 effective 0.0271230605235106 mechanism 0.026175530024872676 development 0.019069051285088238 synthesis 0.01729243160014213 including 0.016226459789174464 well 0.007106478739784437 chemical 0.004619211180859884 compound 0.0
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