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Application

Discovery Studio 1.0 Materials Studio 0.4565002471576866 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.051561517501572 Amorphous Cell 0.11360301823517083 Blends 4.1919932928107315E-4 CASTEP 0.30098511842381054 CDOCKER 0.2114860616223014 CHARMm 0.3349402640955774 COMPASS 0.17983651226158037 COMPASS III 0.036889540976734435 COSMObase 0.002305596311045902 COSMOconf 0.0025151959756864388 COSMOperm 0.0010479983232026828 COSMOquick 2.0959966464053657E-4 COSMOtherm 0.05198071683085307 Cantera 0.0 Catalyst 0.16432613707818067 Classical Simulations 0.7067700691678893 Conformers 0.001467197652483756 Crystallization 0.03605114231817229 DFTB Plus 0.0031439949696080486 DMol3 0.13204778872353803 DPD 0.0012575979878432194 Discover 0.003353594634248585 Forcite 0.2517291972332844 GULP 0.015929574512680778 Kinetix 4.1919932928107315E-4 LUDI 0.005659190945294487 LibDock 0.09264305177111716 LigandFit 0.007755187591699853 MCSS 4.1919932928107315E-4 MODELER 0.22720603647034165 MesoDyn 0.0 Mesocite 4.1919932928107315E-4 Mesoscale 0.0018863969817648292 Morphology 0.007755187591699853 ONETEP 0.0010479983232026828 Polymorph 0.001467197652483756 QMERA 2.0959966464053657E-4 QSAR 0.0016767973171242926 Quantum Mechanics 0.424229721232446 Reflex 0.026619157409348147 Semi-empirical 0.005239991616013414 Sorption 0.030391951372877802 Synthia 0.0 TURBOMOLE 2.0959966464053657E-4 VAMP 0.001467197652483756 Visualization 1.0 X-Cell 6.287989939216097E-4 ZDOCK 0.02934395304967512

Year

2021 0.07440039158100832 2022 0.3306412139011258 2023 0.4916789035731767 2024 1.0 2025 0.9632892804698973 2026 0.20655898188937835 2027 0.0

Keywords

potential 1.0 target 0.9546153846153846 docking 0.3694230769230769 visualization 0.2553846153846154 analysis 0.25096153846153846 binding 0.12826923076923077 novel 0.12153846153846154 promising 0.08605769230769231 between 0.08471153846153846 activity 0.07682692307692307 protein 0.056826923076923073 drug 0.04278846153846154 silico 0.04125 therapeutic 0.039038461538461536 vitro 0.036057692307692304 stability 0.027884615384615386 including 0.02480769230769231 treatment 0.022403846153846153 interaction 0.02028846153846154 compound 0.01932692307692308 development 0.01730769230769231 energy 0.01326923076923077 inhibition 0.012307692307692308 effective 0.011153846153846153 synthesized 0.0
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