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Application

Discovery Studio 0.8233489714904366 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.07102620622091599 Amorphous Cell 0.2931667891256429 Blends 0.0024491795248591723 CASTEP 0.40313494979181974 CDOCKER 0.14107274063188832 CHARMm 0.22630418809698752 COMPASS 0.363948077394073 COMPASS III 0.0938035758021063 COSMObase 0.0036737692872887582 COSMOconf 0.00612294881214793 COSMOmic 0.0 COSMOperm 0.0012245897624295861 COSMOplex 2.449179524859172E-4 COSMOquick 9.796718099436689E-4 COSMOtherm 0.07102620622091599 Cantera 0.0 Catalyst 0.0938035758021063 Classical Simulations 1.0 Conformers 4.898359049718344E-4 Crystallization 0.07421013960323292 DFTB Plus 0.00612294881214793 DMol3 0.17511633602743082 DPD 0.0024491795248591723 Discover 0.0029390154298310064 Forcite 0.5638011266225814 GULP 0.018858682341415627 Kinetix 2.449179524859172E-4 LUDI 0.0039186872397746755 LibDock 0.057065882929218714 LigandFit 0.003428851334802841 MCSS 4.898359049718344E-4 MODELER 0.20107763899093803 MesoDyn 4.898359049718344E-4 Mesocite 0.0031839333823169237 Mesoscale 0.00612294881214793 Morphology 0.01763409257898604 ONETEP 0.0017144256674014205 Polymorph 0.0012245897624295861 QMERA 0.0 QSAR 9.796718099436689E-4 Quantum Mechanics 0.5696791574822434 Reflex 0.05363703159441587 Reflex Plus 4.898359049718344E-4 Semi-empirical 0.008082292432035268 Sorption 0.05853539064413422 Synthia 0.0014695077149155032 TURBOMOLE 9.796718099436689E-4 VAMP 0.0014695077149155032 Visualization 0.7151604212588782 X-Cell 0.0012245897624295861 ZDOCK 0.02375704139113397

Year

2023 0.12888647866955893 2024 0.47487346348517717 2025 1.0 2026 0.3834056399132321 2027 0.0

Keywords

target 1.0 potential 0.28153153153153154 analysis 0.1945945945945946 docking 0.19132882882882882 visualization 0.16959459459459458 between 0.16385135135135134 energy 0.0981981981981982 novel 0.09222972972972973 cell 0.07094594594594594 promising 0.06835585585585585 binding 0.05630630630630631 activity 0.0472972972972973 performance 0.04718468468468468 stability 0.04358108108108108 experimental 0.03513513513513514 synthesized 0.02849099099099099 interaction 0.023873873873873873 including 0.020495495495495494 mechanism 0.02027027027027027 effective 0.01981981981981982 development 0.018468468468468467 enhanced 0.014301801801801801 design 0.00563063063063063 synthesis 0.00563063063063063 chemical 0.0
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