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Application

Discovery Studio 1.0 Materials Studio 0.8693394266722061 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06599937441351267 Amorphous Cell 0.2580544260243979 Blends 0.0028151391929934315 CASTEP 0.42289646543634657 CDOCKER 0.18642477322489834 CHARMm 0.2990303409446356 COMPASS 0.38379730997810446 COMPASS III 0.04316546762589928 COSMObase 9.383797309978105E-4 COSMOconf 6.255864873318737E-4 COSMOperm 0.0012511729746637473 COSMOplex 0.0 COSMOquick 6.255864873318737E-4 COSMOtherm 0.055677197372536756 Cantera 0.0 Catalyst 0.1257428839537066 Classical Simulations 1.0 Conformers 9.383797309978105E-4 Crystallization 0.07944948389114795 DFTB Plus 0.008132624335314358 DMol3 0.19487019080387863 DPD 0.004066312167657179 Discover 0.003440725680325305 Forcite 0.48889583984985924 GULP 0.032843290584923364 Kinetix 0.0 LUDI 0.0031279324366593683 LibDock 0.07944948389114795 LigandFit 0.005630278385986863 MCSS 9.383797309978105E-4 MODELER 0.28245229903034097 MesoDyn 0.0031279324366593683 Mesocite 0.005317485142320926 Mesoscale 0.010634970284641852 Morphology 0.019080387863622147 ONETEP 3.1279324366593683E-4 Polymorph 0.0015639662183296842 QMERA 0.0 QSAR 0.0015639662183296842 Quantum Mechanics 0.6071316859555833 Reflex 0.058805129809196124 Semi-empirical 0.011260556771973726 Sorption 0.043478260869565216 Synthia 0.002189552705661558 TURBOMOLE 9.383797309978105E-4 VAMP 0.0025023459493274947 Visualization 0.8739443228026275 X-Cell 3.1279324366593683E-4 ZDOCK 0.03127932436659368

Year

2024 0.0

Keywords

target 1.0 potential 0.29220212102308174 docking 0.23930131004366811 analysis 0.19588271990018716 visualization 0.18927011852776046 between 0.15608234560199627 novel 0.10268247036805989 binding 0.07897691827822832 energy 0.06462882096069869 activity 0.061260137242669994 promising 0.04653774173424829 interaction 0.044915782907049284 cell 0.04266999376169682 protein 0.0314410480349345 stability 0.026575171553337492 synthesized 0.025202744853399874 experimental 0.02233312538989395 effective 0.021459762944479103 synthesis 0.016469120399251403 mechanism 0.015970056144728635 development 0.015470991890205864 including 0.011478477854023705 compound 0.0012476606363069245 well 9.981285090455397E-4 chemical 0.0
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