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Application

Discovery Studio 1.0 Materials Studio 0.955318783296099 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06629746835443039 Amorphous Cell 0.276503164556962 Blends 0.002610759493670886 CASTEP 0.40253164556962023 CDOCKER 0.17998417721518986 CHARMm 0.2640822784810127 COMPASS 0.3661392405063291 COMPASS III 0.07507911392405063 COSMObase 0.0030063291139240506 COSMOconf 0.003481012658227848 COSMOmic 1.5822784810126583E-4 COSMOperm 0.0012658227848101266 COSMOplex 2.3734177215189873E-4 COSMOquick 0.0012658227848101266 COSMOtherm 0.06329113924050633 Cantera 7.911392405063291E-5 Catalyst 0.12555379746835443 Classical Simulations 1.0 Conformers 0.0011867088607594937 Crystallization 0.07405063291139241 DFTB Plus 0.0060917721518987345 DMol3 0.18425632911392406 DPD 0.002848101265822785 Discover 0.004430379746835443 Forcite 0.529746835443038 GULP 0.026028481012658228 Kinetix 2.3734177215189873E-4 LUDI 0.005933544303797469 LibDock 0.07294303797468354 LigandFit 0.0076740506329113925 MCSS 0.0014240506329113924 MODELER 0.19082278481012657 MesoDyn 0.001740506329113924 Mesocite 0.003955696202531646 Mesoscale 0.007594936708860759 Modules 0.0 Morphology 0.017563291139240506 ONETEP 8.70253164556962E-4 Polymorph 0.001819620253164557 QMERA 2.3734177215189873E-4 QSAR 0.0013449367088607595 Quantum Mechanics 0.5752373417721519 Reflex 0.05435126582278481 Reflex Plus 7.120253164556962E-4 Semi-empirical 0.00814873417721519 Sorption 0.05395569620253165 Synthia 0.0014240506329113924 TURBOMOLE 6.329113924050633E-4 VAMP 0.001661392405063291 Visualization 0.8935917721518988 X-Cell 0.0011075949367088608 ZDOCK 0.03069620253164557

Year

2020 0.04807355516637478 2021 0.136077057793345 2022 0.28012259194395794 2023 0.4551663747810858 2024 0.9062171628721541 2025 1.0 2026 0.3722416812609457 2027 0.0

Keywords

target 1.0 potential 0.2640133222314738 docking 0.2197835137385512 visualization 0.21555370524562864 analysis 0.17995004163197337 between 0.14810990840965862 novel 0.10048293089092424 energy 0.07860116569525395 binding 0.07104079933388843 cell 0.056552872606161535 activity 0.052656119900083266 promising 0.04346378018318068 interaction 0.037701915070774354 synthesized 0.02810990840965862 experimental 0.025611990008326396 stability 0.02497918401332223 protein 0.0204496253122398 mechanism 0.016286427976686096 effective 0.014820982514571191 development 0.01475437135720233 performance 0.013655287260616154 synthesis 0.011523730224812656 including 0.007960033305578684 chemical 0.001498751040799334 design 0.0
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