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Application

Discovery Studio 1.0 Materials Studio 0.012464942349641633 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.008255933952528379 Amorphous Cell 0.003611971104231166 CASTEP 0.003611971104231166 CDOCKER 0.1109391124871001 CHARMm 0.3075335397316821 COMPASS 0.009287925696594427 COMPASS III 0.0025799793601651187 COSMOconf 0.0 COSMOperm 0.0015479876160990713 COSMOquick 5.159958720330237E-4 COSMOtherm 0.01238390092879257 Catalyst 0.18575851393188855 Classical Simulations 0.3328173374613003 Crystallization 5.159958720330237E-4 DFTB Plus 0.0 DMol3 0.006191950464396285 Forcite 0.015995872033023734 Kinetix 0.0 LUDI 0.007739938080495356 LibDock 0.03560371517027864 LigandFit 0.009287925696594427 MCSS 5.159958720330237E-4 MODELER 0.20123839009287925 Polymorph 0.0 QSAR 5.159958720330237E-4 Quantum Mechanics 0.010319917440660475 Reflex 0.0 Semi-empirical 5.159958720330237E-4 Sorption 0.0010319917440660474 TURBOMOLE 0.0 VAMP 0.0 Visualization 1.0 ZDOCK 0.016511867905056758

Year

2022 0.060654429369513166 2023 0.7613727055067837 2024 1.0 2025 0.7781324820430966 2026 0.0

Keywords

silico 1.0 target 0.964152352501867 docking 0.6448842419716206 potential 0.5197908887229276 visualization 0.4839432412247946 analysis 0.31590739357729647 vitro 0.2976101568334578 binding 0.25130694548170274 activity 0.18297236743838685 protein 0.1277072442120986 drug 0.11314413741598207 novel 0.10604929051530994 inhibition 0.08999253174010456 promising 0.08588498879761015 compound 0.08401792382374906 therapeutic 0.039581777445855115 synthesis 0.03472740851381628 synthesized 0.030619865571321882 potent 0.019044062733383122 interaction 0.015309932785660941 between 0.006721433905899925 binding affinity 0.002987303958177745 treatment 0.0022404779686333084 including 0.0014936519790888724 stability 0.0
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