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Application

Discovery Studio 1.0 Materials Studio 0.9264705882352942 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.061593394331622406 Amorphous Cell 0.2724838205757643 Blends 0.0015621513055121626 CASTEP 0.3249274715465298 CDOCKER 0.17139031466190582 CHARMm 0.2827493862977014 COMPASS 0.3383173398794912 COMPASS III 0.09551439410845794 COSMObase 0.004240124972104441 COSMOconf 0.0060254407498326265 COSMOmic 0.0 COSMOperm 6.694934166480696E-4 COSMOplex 2.231644722160232E-4 COSMOquick 0.0011158223610801161 COSMOtherm 0.06270921669270252 Catalyst 0.09015844677527338 Classical Simulations 1.0 Conformers 2.231644722160232E-4 Crystallization 0.06851149297031912 DFTB Plus 0.0035706315554563713 DMol3 0.14639589377371123 DPD 0.0013389868332961392 Discover 0.0035706315554563713 Forcite 0.519303726846686 GULP 0.017629993305065834 Kinetix 0.0 LUDI 0.004016960499888418 LibDock 0.07364427583128766 LigandFit 0.004016960499888418 MCSS 6.694934166480696E-4 MODELER 0.2682436956036599 MesoDyn 6.694934166480696E-4 Mesocite 0.003347467083240348 Mesoscale 0.005132782860968534 Morphology 0.015621513055121624 ONETEP 6.694934166480696E-4 Polymorph 0.0015621513055121626 QMERA 0.0 QSAR 4.463289444320464E-4 Quantum Mechanics 0.4628431153760321 Reflex 0.05021200624860522 Reflex Plus 4.463289444320464E-4 Semi-empirical 0.00490961838875251 Sorption 0.051104664137469315 Synthia 6.694934166480696E-4 TURBOMOLE 2.231644722160232E-4 VAMP 8.926578888640928E-4 Visualization 0.7458156661459495 X-Cell 0.0017853157777281857 ZDOCK 0.031019861638027228

Year

2023 0.025693380976688787 2024 0.40871192785434746 2025 1.0 2026 0.6035392206908287 2027 0.0

Keywords

target 1.0 potential 0.3142947635135135 docking 0.23574746621621623 analysis 0.21579391891891891 visualization 0.18010979729729729 between 0.14653716216216217 novel 0.10008445945945946 binding 0.0859375 promising 0.08203125 energy 0.07020692567567567 cell 0.0581714527027027 activity 0.052470439189189186 stability 0.04201858108108108 performance 0.028505067567567568 including 0.025971283783783782 effective 0.020586993243243243 interaction 0.01710304054054054 development 0.01594172297297297 mechanism 0.014463682432432432 synthesized 0.014041385135135136 protein 0.013724662162162162 experimental 0.009396114864864864 strong 0.009396114864864864 enhanced 0.004222972972972973 design 0.0
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