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Application

Discovery Studio 0.8690038285414008 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06946264744429882 Amorphous Cell 0.28480693618308295 Blends 0.002621231979030144 CASTEP 0.3954027623752394 CDOCKER 0.1496118560338744 CHARMm 0.2375239439459623 COMPASS 0.3720133077931243 COMPASS III 0.08488758947474544 COSMObase 0.0036293981248109687 COSMOconf 0.004234297812279464 COSMOmic 1.0081661457808247E-4 COSMOperm 0.001310615989515072 COSMOplex 2.0163322915616494E-4 COSMOquick 0.0014114326040931546 COSMOtherm 0.06411936687166045 Cantera 0.0 Catalyst 0.10777296098397016 Classical Simulations 1.0 Conformers 9.073495312027422E-4 Crystallization 0.07783042645427966 DFTB Plus 0.0056457304163726185 DMol3 0.17915112410525255 DPD 0.002621231979030144 Discover 0.0033269482810767215 Forcite 0.5494505494505495 GULP 0.024599253957052123 Kinetix 3.024498437342474E-4 LUDI 0.003730214739389051 LibDock 0.0638169170279262 LigandFit 0.004637564270591793 MCSS 5.040830728904124E-4 MODELER 0.18298215545921967 MesoDyn 0.0011089827603589072 Mesocite 0.003931847968545216 Mesoscale 0.006855529791309608 Modules 0.0 Morphology 0.01834862385321101 ONETEP 0.0010081661457808247 Polymorph 0.0019155156769835669 QMERA 1.0081661457808247E-4 QSAR 0.0010081661457808247 Quantum Mechanics 0.5633632422623248 Reflex 0.0569613872366166 Reflex Plus 9.073495312027422E-4 Semi-empirical 0.007561246093356185 Sorption 0.0580703699969755 Synthia 0.001512249218671237 TURBOMOLE 6.048996874684948E-4 VAMP 0.0016130658332493195 Visualization 0.7514870450650267 X-Cell 0.001310615989515072 ZDOCK 0.025506603488254863

Year

2022 7.031112673580594E-4 2023 0.31534540341008965 2024 0.6669889259975391 2025 1.0 2026 0.3736157496923888 2027 0.0

Keywords

target 1.0 potential 0.2774751682153156 docking 0.199112006225111 analysis 0.19032361422620955 visualization 0.18267954410216505 between 0.15805373735524328 novel 0.09795395248775575 energy 0.09593994598800751 cell 0.06600448574174944 binding 0.06280038449214995 promising 0.06083215086739598 activity 0.044399688744450036 stability 0.039410445370073696 performance 0.03831189637021101 experimental 0.03286492424589189 interaction 0.032315649745960545 synthesized 0.028562273996429716 effective 0.02187943424726507 mechanism 0.01986542774751682 development 0.01936192612257976 including 0.018354922872705636 protein 0.00823911749897011 synthesis 0.007552524374055934 design 0.0025175081246853115 chemical 0.0
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