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Application

Discovery Studio 1.0 Materials Studio 0.6095923261390888 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.04500381388253242 Amorphous Cell 0.2433257055682685 Blends 0.0015255530129672007 CASTEP 0.21815408085430968 CDOCKER 0.22654462242562928 CHARMm 0.36536994660564454 COMPASS 0.2837528604118993 COMPASS III 0.11060259344012205 COSMObase 0.002288329519450801 COSMOconf 0.006102212051868803 COSMOmic 0.0 COSMOperm 7.627765064836003E-4 COSMOtherm 0.05263157894736842 Catalyst 0.10526315789473684 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.06407322654462243 DFTB Plus 0.0015255530129672007 DMol3 0.09000762776506484 DPD 0.002288329519450801 Discover 0.004576659038901602 Forcite 0.459954233409611 GULP 0.006864988558352402 Kinetix 0.0 LUDI 0.002288329519450801 LibDock 0.09305873379099924 LigandFit 0.004576659038901602 MODELER 0.3112128146453089 Mesocite 0.0030511060259344014 Mesoscale 0.004576659038901602 Morphology 0.012967200610221205 ONETEP 0.0015255530129672007 Polymorph 0.0015255530129672007 Quantum Mechanics 0.30663615560640733 Reflex 0.04729214340198322 Reflex Plus 0.0 Semi-empirical 0.0015255530129672007 Sorption 0.05491990846681922 Synthia 0.0 TURBOMOLE 0.0 Visualization 0.8520213577421816 X-Cell 0.0 ZDOCK 0.03966437833714721

Year

2025 1.0 2026 0.6539357242664182 2027 0.0

Keywords

target 1.0 potential 0.3516483516483517 docking 0.3002481389578164 analysis 0.23750443105281815 visualization 0.20914569301666075 binding 0.10918114143920596 between 0.10740872031194612 novel 0.09925558312655088 promising 0.09393831974477136 activity 0.07656859269762496 therapeutic 0.05175469691598724 cell 0.04324707550514002 strong 0.03828429634881248 including 0.036511875221552643 stability 0.025168380007089684 development 0.02056008507621411 protein 0.019496632399858205 energy 0.018433179723502304 synthesized 0.012052463665366891 mechanism 0.009216589861751152 effective 0.0077986529599432825 synthesis 0.005671747607231478 inhibition 0.0031903580290677065 interaction 7.089684509039348E-4 silico 0.0
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