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Application

Discovery Studio 1.0 Materials Studio 0.3190218936593688 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.03933865450399088 Amorphous Cell 0.16989737742303307 Blends 0.0011402508551881414 CASTEP 0.14652223489167618 CDOCKER 0.2765108323831243 CHARMm 0.4412770809578107 COMPASS 0.20410490307867732 COMPASS III 0.05701254275940707 COSMObase 0.0034207525655644243 COSMOconf 0.0034207525655644243 COSMOquick 0.0017103762827822121 COSMOtherm 0.04047890535917902 Catalyst 0.1225769669327252 Classical Simulations 0.8648802736602053 Crystallization 0.04104903078677309 DFTB Plus 0.0028506271379703536 DMol3 0.07354618015963511 DPD 0.0034207525655644243 Discover 0.0028506271379703536 Forcite 0.3187001140250855 GULP 0.010832383124287344 LUDI 0.005701254275940707 LibDock 0.11345496009122007 LigandFit 0.005701254275940707 MODELER 0.42930444697833525 MesoDyn 0.0011402508551881414 Mesocite 5.701254275940707E-4 Mesoscale 0.005701254275940707 Morphology 0.009122006841505131 Polymorph 5.701254275940707E-4 QSAR 5.701254275940707E-4 Quantum Mechanics 0.2160775370581528 Reflex 0.029646522234891677 Reflex Plus 5.701254275940707E-4 Semi-empirical 0.0034207525655644243 Sorption 0.026225769669327253 Synthia 0.0 VAMP 0.0 Visualization 1.0 X-Cell 5.701254275940707E-4 ZDOCK 0.046180159635119726

Year

2025 0.0

Keywords

target 1.0 potential 0.4019607843137255 docking 0.3893188854489164 analysis 0.2631578947368421 visualization 0.24690402476780185 binding 0.1568627450980392 novel 0.10990712074303406 promising 0.10345717234262126 activity 0.1001031991744066 between 0.09958720330237358 therapeutic 0.058307533539731685 protein 0.05159958720330237 including 0.04256965944272446 silico 0.0304437564499484 vitro 0.023735810113519093 inhibition 0.0196078431372549 development 0.015995872033023734 stability 0.012899896800825593 strong 0.011351909184726523 interaction 0.00980392156862745 synthesis 0.008771929824561403 cell 0.008255933952528379 compound 0.006449948400412796 treatment 2.5799793601651185E-4 synthesized 0.0
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