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Application

Discovery Studio 1.0 Materials Studio 0.020338983050847456 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.003216726980297547 Amorphous Cell 0.010856453558504222 CASTEP 0.0028146361077603537 CDOCKER 0.2187374346602332 CHARMm 0.37474869320466425 COMPASS 0.011258544431041415 COMPASS III 0.002010454362685967 COSMObase 0.0 COSMOconf 4.020908725371934E-4 COSMOquick 0.0 COSMOtherm 0.006031363088057901 Catalyst 0.14595898673100122 Classical Simulations 0.4020908725371934 Crystallization 0.003216726980297547 DFTB Plus 4.020908725371934E-4 DMol3 0.007639726578206675 DPD 4.020908725371934E-4 Forcite 0.01889827100924809 GULP 8.041817450743868E-4 LUDI 0.008845999195818254 LibDock 0.09569762766385204 LigandFit 0.007237635705669481 MCSS 4.020908725371934E-4 MODELER 0.293124246079614 Mesocite 4.020908725371934E-4 Mesoscale 8.041817450743868E-4 Polymorph 0.0 Quantum Mechanics 0.010856453558504222 Reflex 0.0028146361077603537 Semi-empirical 4.020908725371934E-4 Sorption 8.041817450743868E-4 Visualization 1.0 X-Cell 0.0 ZDOCK 0.06433453960595094

Year

2021 0.04518664047151277 2022 0.4911591355599214 2023 0.8513425016371972 2024 1.0 2025 0.68762278978389 2026 0.0

Keywords

protein 1.0 target 0.9700897308075773 docking 0.5902293120638086 potential 0.43743768693918245 visualization 0.41126620139581255 binding 0.33225324027916253 analysis 0.31056829511465606 activity 0.13534396809571286 novel 0.12761714855433698 interaction 0.11291126620139581 drug 0.10692921236291127 between 0.1014456630109671 silico 0.09995014955134596 therapeutic 0.06405782652043869 vitro 0.06106679960119641 treatment 0.06031904287138584 stability 0.05284147557328016 compound 0.03938185443668993 development 0.03290129611166501 promising 0.03140578265204387 role 0.029411764705882353 inhibition 0.01869391824526421 binding affinity 0.014705882352941176 including 0.012213359920239282 complex 0.0
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