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Application

Discovery Studio 1.0 Materials Studio 0.9564164648910412 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06707393093130533 Amorphous Cell 0.27290861488592444 Blends 0.00211943647924199 CASTEP 0.3756389477621244 CDOCKER 0.17778331878818102 CHARMm 0.2736566512903628 COMPASS 0.35681336491709265 COMPASS III 0.07879316793417279 COSMObase 0.003366163819972572 COSMOconf 0.0037401820221917466 COSMOmic 2.4934546814611643E-4 COSMOperm 9.973818725844657E-4 COSMOplex 2.4934546814611643E-4 COSMOquick 0.0016207455429497568 COSMOtherm 0.06034160329136018 Cantera 0.0 Catalyst 0.11557162448572497 Classical Simulations 1.0 Conformers 0.001122054606657524 Crystallization 0.07517765864605411 DFTB Plus 0.004363545692557038 DMol3 0.1721730457548934 DPD 0.0028674728836803392 Discover 0.004488218426630096 Forcite 0.5248722104475751 GULP 0.022815110335369655 Kinetix 1.2467273407305821E-4 LUDI 0.005984291235506795 LibDock 0.0719361675601546 LigandFit 0.006607654905872086 MCSS 0.001122054606657524 MODELER 0.20483730208203466 MesoDyn 0.0012467273407305822 Mesocite 0.004114200224410921 Mesoscale 0.0073556913103104355 Morphology 0.016706146365789803 ONETEP 9.973818725844657E-4 Polymorph 0.0018700910110958733 QMERA 2.4934546814611643E-4 QSAR 9.973818725844657E-4 Quantum Mechanics 0.5369654656526618 Reflex 0.055978057598803144 Reflex Plus 4.986909362922329E-4 Semi-empirical 0.006233636703652911 Sorption 0.053858621119561155 Synthia 6.233636703652911E-4 TURBOMOLE 4.986909362922329E-4 VAMP 0.0013714000748036405 Visualization 0.8324398454058097 X-Cell 0.0013714000748036405 ZDOCK 0.029796783443460914

Year

2021 0.04898114162764207 2022 0.21136564991773193 2023 0.27376281483356535 2024 0.7900265789140615 2025 1.0 2026 0.517402860397418 2027 0.0

Keywords

target 1.0 potential 0.28399320957231255 docking 0.2292864574776847 visualization 0.20623186024861728 analysis 0.19801763320738186 between 0.15196320026285526 novel 0.10295164558348392 energy 0.08197798587152949 binding 0.08038990197689064 cell 0.06144241826844094 promising 0.059361480751327966 activity 0.055254367230710255 interaction 0.03658069109030174 stability 0.03636164503586879 synthesized 0.02792837194020043 experimental 0.024259350528448607 performance 0.022945074201850938 effective 0.022397459065768576 protein 0.021192705766387383 mechanism 0.02064509063030502 including 0.018783199167624994 development 0.017304638300202617 synthesis 0.01429275505174963 design 0.0034499753573188764 chemical 0.0
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