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Application

Discovery Studio 1.0 Materials Studio 0.10644959298685035 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.011995201919232307 Amorphous Cell 0.03598560575769692 Blends 0.0 CASTEP 0.06357457017193123 CDOCKER 0.23070771691323472 CHARMm 0.3690523790483807 COMPASS 0.0667732906837265 COMPASS III 0.006397441023590564 COSMObase 3.9984006397441024E-4 COSMOconf 3.9984006397441024E-4 COSMOperm 0.0 COSMOquick 3.9984006397441024E-4 COSMOtherm 0.009196321471411436 Catalyst 0.1479408236705318 Classical Simulations 0.485405837664934 Crystallization 0.015193922431027589 DFTB Plus 0.003198720511795282 DMol3 0.024390243902439025 DPD 0.0 Forcite 0.07636945221911236 GULP 0.004398240703718513 LUDI 0.003998400639744102 LibDock 0.09916033586565375 LigandFit 0.006797281087564974 MCSS 0.0011995201919232307 MODELER 0.351859256297481 MesoDyn 3.9984006397441024E-4 Mesoscale 7.996801279488205E-4 Morphology 0.0023990403838464614 Polymorph 3.9984006397441024E-4 QSAR 3.9984006397441024E-4 Quantum Mechanics 0.08636545381847262 Reflex 0.011595361855257898 Semi-empirical 0.003198720511795282 Sorption 0.007996801279488205 Synthia 7.996801279488205E-4 TURBOMOLE 0.0 Visualization 1.0 X-Cell 0.0 ZDOCK 0.03998400639744103

Year

2024 0.0

Keywords

target 1.0 docking 0.5006902899217671 potential 0.4015186378278877 visualization 0.37551771744132534 analysis 0.266912103083295 binding 0.19144040497008744 activity 0.15117349286700416 novel 0.14358030372756558 protein 0.13092498849516798 between 0.08858720662678325 vitro 0.07708237459733087 silico 0.07593189139438564 promising 0.058674643350207084 drug 0.05522319374137138 compound 0.04371836171191901 interaction 0.04371836171191901 therapeutic 0.04095720202485044 synthesis 0.0398067188219052 treatment 0.03773584905660377 inhibition 0.03474459272894616 synthesized 0.014726184997699034 development 0.012885411872986655 potent 0.0036815462494247586 including 0.0025310630464795212 modeler 0.0
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