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Application

Discovery Studio 1.0 Materials Studio 0.9474573407670215 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06495726495726496 Amorphous Cell 0.2732763532763533 Blends 0.002393162393162393 CASTEP 0.379031339031339 CDOCKER 0.174017094017094 CHARMm 0.27247863247863247 COMPASS 0.350997150997151 COMPASS III 0.08444444444444445 COSMObase 0.003532763532763533 COSMOconf 0.004558404558404558 COSMOmic 1.1396011396011396E-4 COSMOperm 0.0014814814814814814 COSMOplex 2.279202279202279E-4 COSMOquick 0.0015954415954415955 COSMOtherm 0.06484330484330485 Cantera 0.0 Catalyst 0.12763532763532764 Classical Simulations 1.0 Conformers 6.837606837606838E-4 Crystallization 0.07316239316239316 DFTB Plus 0.00603988603988604 DMol3 0.16934472934472936 DPD 0.002621082621082621 Discover 0.003076923076923077 Forcite 0.5241025641025641 GULP 0.023247863247863248 Kinetix 2.279202279202279E-4 LUDI 0.0044444444444444444 LibDock 0.07407407407407407 LigandFit 0.005811965811965812 MCSS 6.837606837606838E-4 MODELER 0.20011396011396013 MesoDyn 0.0010256410256410256 Mesocite 0.003190883190883191 Mesoscale 0.006381766381766382 Modules 0.0 Morphology 0.01754985754985755 ONETEP 0.0011396011396011395 Polymorph 0.0019373219373219374 QMERA 0.0 QSAR 0.0011396011396011395 Quantum Mechanics 0.5372079772079772 Reflex 0.05299145299145299 Reflex Plus 9.116809116809116E-4 Semi-empirical 0.007863247863247864 Sorption 0.056638176638176635 Synthia 0.0015954415954415955 TURBOMOLE 5.698005698005698E-4 VAMP 0.0015954415954415955 Visualization 0.852079772079772 X-Cell 0.0013675213675213675 ZDOCK 0.029743589743589743

Year

2022 0.02754922806693168 2023 0.34630673939169826 2024 0.5928630858833318 2025 1.0 2026 0.3233798650272719 2027 0.0

Keywords

target 1.0 potential 0.2744852531997774 docking 0.21892969764422185 visualization 0.19824707846410686 analysis 0.1841495084399926 between 0.14459283991838248 novel 0.10104804303468744 energy 0.07739751437581154 binding 0.0752179558523465 promising 0.06065664997217585 cell 0.05773511407902059 activity 0.05574104989797811 interaction 0.03547579298831385 stability 0.03450194769059544 synthesized 0.03241513633834168 experimental 0.02583008718234094 protein 0.023233166388425153 performance 0.023186792802819513 development 0.02239844184752365 effective 0.020775366351326284 mechanism 0.019384158783157114 including 0.019013170098312 synthesis 0.017900204043776666 design 0.003385271749211649 compound 0.0
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