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Application

Discovery Studio 1.0 Materials Studio 0.8289164709828917 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05668016194331984 Amorphous Cell 0.2627080521817364 Blends 0.002699055330634278 CASTEP 0.28654970760233917 CDOCKER 0.18533513270355376 CHARMm 0.3094916779127305 COMPASS 0.3202878992352677 COMPASS III 0.09806567701304543 COSMObase 0.004048582995951417 COSMOconf 0.005847953216374269 COSMOmic 0.0 COSMOperm 8.99685110211426E-4 COSMOquick 0.0 COSMOtherm 0.06072874493927125 Catalyst 0.08771929824561403 Classical Simulations 1.0 Conformers 0.0 Crystallization 0.0656770130454341 DFTB Plus 0.001349527665317139 DMol3 0.13090418353576247 DPD 0.001799370220422852 Discover 0.006297795771479982 Forcite 0.4993252361673414 GULP 0.01349527665317139 Kinetix 0.0 LUDI 0.00449842555105713 LibDock 0.07917228969860549 LigandFit 0.003148897885739991 MODELER 0.27800269905533065 MesoDyn 8.99685110211426E-4 Mesocite 0.002699055330634278 Mesoscale 0.005398110661268556 Morphology 0.014844804318488529 ONETEP 8.99685110211426E-4 Polymorph 0.001799370220422852 QMERA 0.0 QSAR 4.49842555105713E-4 Quantum Mechanics 0.4098065677013045 Reflex 0.04768331084120558 Reflex Plus 0.0 Semi-empirical 0.002249212775528565 Sorption 0.04948268106162843 Synthia 0.0 TURBOMOLE 0.0 VAMP 0.0 Visualization 0.7395411605937922 X-Cell 0.001349527665317139 ZDOCK 0.033288349077822764

Year

2024 0.1914672216441207 2025 1.0 2026 0.8355879292403746 2027 0.0

Keywords

target 1.0 potential 0.3277199202304454 docking 0.25969421670729004 analysis 0.23000221582096167 visualization 0.17704409483713715 between 0.1333924218923111 novel 0.10059827165964991 binding 0.09705295812098383 promising 0.09550188344781742 activity 0.05894083758032351 cell 0.057168180810990475 energy 0.04365167294482606 stability 0.0365610458674939 strong 0.030356747174828273 including 0.02481719477066253 performance 0.019277642366496785 therapeutic 0.019056060270330157 development 0.017726567693330378 effective 0.015510746731664082 synthesized 0.010414358519831598 mechanism 0.009528030135165079 enhanced 0.007755373365832041 protein 0.005761134500332373 interaction 0.0017726567693330379 design 0.0
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