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Application

Discovery Studio 0.910875106202209 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06711794401101423 Amorphous Cell 0.286369894446994 Blends 0.0029830197338228544 CASTEP 0.408788435061955 CDOCKER 0.16291877007801744 CHARMm 0.24185406149609912 COMPASS 0.37563102340523175 COMPASS III 0.0830656264341441 COSMObase 0.0033272143184947226 COSMOconf 0.004589261128958238 COSMOmic 1.1473152822395595E-4 COSMOperm 0.0010325837540156035 COSMOplex 3.441945846718678E-4 COSMOquick 0.0013767783386874712 COSMOtherm 0.06746213859568609 Cantera 0.0 Catalyst 0.10968334098210188 Classical Simulations 1.0 Conformers 8.031206975676916E-4 Crystallization 0.07675539238182652 DFTB Plus 0.006080770995869665 DMol3 0.1854061496099128 DPD 0.0032124827902707664 Discover 0.0052776502983019734 Forcite 0.5462368058742543 GULP 0.023061037173015143 Kinetix 2.294630564479119E-4 LUDI 0.004703992657182194 LibDock 0.06447911886186324 LigandFit 0.005736576411197797 MCSS 5.736576411197798E-4 MODELER 0.18850390087195962 MesoDyn 0.0013767783386874712 Mesocite 0.004130335016062414 Mesoscale 0.007687012391005048 Modules 0.0 Morphology 0.017668655346489214 ONETEP 0.0012620468104635153 Polymorph 0.002065167508031207 QMERA 2.294630564479119E-4 QSAR 0.0014915098669114272 Quantum Mechanics 0.5828361633776962 Reflex 0.056218448829738414 Reflex Plus 5.736576411197798E-4 Semi-empirical 0.007801743919229004 Sorption 0.054956402019274896 Synthia 0.0011473152822395595 TURBOMOLE 4.589261128958238E-4 VAMP 0.0012620468104635153 Visualization 0.7910738871041763 X-Cell 0.0012620468104635153 ZDOCK 0.02765029830197338

Year

2020 0.0 2021 0.09514194084808172 2022 0.20334956645682384 2023 0.3210595082551372 2024 0.7652927901175912 2025 1.0 2026 0.5017222948093598 2027 0.001187789523696401

Keywords

target 1.0 potential 0.2629684093098727 docking 0.19927995537751636 visualization 0.18548755134120987 analysis 0.1827493534810608 between 0.15120937072156584 novel 0.09152679884387202 energy 0.08792657573145378 cell 0.062319355002281834 binding 0.06084884133664621 promising 0.05106231935500228 activity 0.0463465341514122 stability 0.030475128036103645 experimental 0.02763551544039349 interaction 0.027229856498149182 performance 0.025810050200294102 synthesized 0.025404391258049795 effective 0.017494041884285785 mechanism 0.014603721920795091 development 0.01191623142842655 including 0.009938644084985548 synthesis 0.00649054307590893 protein 0.0029410273312712337 design 7.099031489275391E-4 chemical 0.0
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