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Application

Discovery Studio 1.0 Materials Studio 0.5960176991150442 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.08205470313542361 Amorphous Cell 0.2968645763842562 Blends 0.00333555703802535 CASTEP 0.14609739826551035 CDOCKER 0.17211474316210806 CHARMm 0.34489659773182124 COMPASS 0.35290193462308206 COMPASS III 0.0713809206137425 COSMObase 0.00266844563042028 COSMOconf 0.004002668445630421 COSMOmic 0.0 COSMOperm 6.6711140760507E-4 COSMOquick 6.6711140760507E-4 COSMOtherm 0.049366244162775186 Catalyst 0.10206804536357572 Classical Simulations 1.0 Crystallization 0.0400266844563042 DFTB Plus 0.008005336891260841 DMol3 0.12541694462975317 DPD 0.0020013342228152103 Discover 0.0020013342228152103 Forcite 0.49299533022014674 GULP 0.01067378252168112 LUDI 0.004669779853235491 LibDock 0.07404936624416278 LigandFit 0.00133422281521014 MODELER 0.2541694462975317 MesoDyn 6.6711140760507E-4 Mesocite 0.00600400266844563 Mesoscale 0.008005336891260841 Morphology 0.01467645096731154 ONETEP 0.00133422281521014 Polymorph 6.6711140760507E-4 QMERA 0.0 QSAR 0.0 Quantum Mechanics 0.25883922615076715 Reflex 0.02401601067378252 Reflex Plus 0.0 Semi-empirical 0.01000667111407605 Sorption 0.0513675783855904 Synthia 6.6711140760507E-4 VAMP 6.6711140760507E-4 Visualization 0.8512341561040694 X-Cell 0.0 ZDOCK 0.05203468979319546

Year

2022 0.029174425822470516 2023 0.3637492240844196 2024 0.7380509000620733 2025 1.0 2026 0.2489137181874612 2027 0.0

Keywords

interaction 1.0 target 0.9408684939944564 between 0.41730828457037267 docking 0.3498614105327995 potential 0.3206036341238066 analysis 0.2762550046196489 visualization 0.21496766245765322 binding 0.210655990144749 protein 0.09947643979057591 energy 0.09762858022790268 mechanism 0.08684939944564213 cell 0.05851555281798583 novel 0.05574376347397598 stability 0.051740067754850634 activity 0.04157684016014783 including 0.027717893440098552 experimental 0.024638127502309825 strong 0.018170619032953497 complex 0.016630736064059133 development 0.01632275947028026 promising 0.01632275947028026 drug 0.015398829688943641 effective 0.012935016938712659 therapeutic 0.005851555281798583 silico 0.0
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