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Application

Discovery Studio 1.0 Materials Studio 0.5537037037037037 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.05239687848383501 Amorphous Cell 0.2040133779264214 Blends 0.0014864362690449647 CASTEP 0.32144184318097363 CDOCKER 0.2211073950204385 CHARMm 0.3548866592344853 COMPASS 0.3062058714232627 COMPASS III 0.03530286138981791 COSMObase 0.0011148272017837235 COSMOconf 7.432181345224824E-4 COSMOperm 0.0011148272017837235 COSMOplex 0.0 COSMOquick 7.432181345224824E-4 COSMOtherm 0.046451133407655144 Catalyst 0.14864362690449648 Classical Simulations 0.9093273875882572 Conformers 0.0 Crystallization 0.06168710516536603 DFTB Plus 0.007432181345224823 DMol3 0.14418431809736157 DPD 0.0033444816053511705 Discover 0.0033444816053511705 Forcite 0.3820141211445559 GULP 0.02564102564102564 LUDI 0.0037160906726124115 LibDock 0.09438870308435526 LigandFit 0.006688963210702341 MCSS 0.0011148272017837235 MODELER 0.3355629877369008 MesoDyn 0.0029728725380899295 Mesocite 0.004459308807134894 Mesoscale 0.008918617614269788 Morphology 0.014121144555927164 ONETEP 0.0 Polymorph 0.0018580453363062058 QMERA 0.0 QSAR 0.0014864362690449647 Quantum Mechanics 0.45819397993311034 Reflex 0.045707915273132664 Semi-empirical 0.00966183574879227 Sorption 0.032701597918989224 Synthia 0.0018580453363062058 TURBOMOLE 3.716090672612412E-4 VAMP 0.0014864362690449647 Visualization 1.0 X-Cell 3.716090672612412E-4 ZDOCK 0.03716090672612412

Year

2024 0.0

Keywords

target 1.0 potential 0.3121951219512195 docking 0.3021341463414634 visualization 0.22759146341463415 analysis 0.20823170731707316 between 0.13201219512195123 novel 0.10121951219512196 binding 0.10015243902439025 activity 0.07515243902439024 protein 0.05015243902439025 promising 0.036280487804878046 interaction 0.03490853658536586 energy 0.015548780487804878 cell 0.01524390243902439 synthesis 0.010823170731707316 synthesized 0.010670731707317074 stability 0.00899390243902439 silico 0.008689024390243903 vitro 0.008384146341463415 development 0.00625 compound 0.00274390243902439 drug 0.001829268292682927 effective 0.001829268292682927 mechanism 0.0010670731707317074 including 0.0
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