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Application

Discovery Studio 1.0 Materials Studio 0.9472404115996258 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.058254716981132076 Amorphous Cell 0.27382075471698114 Blends 0.0021226415094339622 CASTEP 0.31886792452830187 CDOCKER 0.17641509433962263 CHARMm 0.2818396226415094 COMPASS 0.3330188679245283 COMPASS III 0.10660377358490566 COSMObase 0.004481132075471698 COSMOconf 0.005660377358490566 COSMOmic 0.0 COSMOperm 4.716981132075472E-4 COSMOplex 2.358490566037736E-4 COSMOquick 7.075471698113207E-4 COSMOtherm 0.0634433962264151 Catalyst 0.0820754716981132 Classical Simulations 1.0 Conformers 4.716981132075472E-4 Crystallization 0.07169811320754717 DFTB Plus 0.0037735849056603774 DMol3 0.14599056603773586 DPD 0.0025943396226415093 Discover 0.0037735849056603774 Forcite 0.5160377358490567 GULP 0.016745283018867924 Kinetix 2.358490566037736E-4 LUDI 0.004009433962264151 LibDock 0.07311320754716981 LigandFit 0.0037735849056603774 MODELER 0.2627358490566038 MesoDyn 2.358490566037736E-4 Mesocite 0.0033018867924528303 Mesoscale 0.00589622641509434 Modules 0.0 Morphology 0.016273584905660377 ONETEP 9.433962264150943E-4 Polymorph 0.0021226415094339622 QMERA 2.358490566037736E-4 QSAR 4.716981132075472E-4 Quantum Mechanics 0.45660377358490567 Reflex 0.05188679245283019 Reflex Plus 9.433962264150943E-4 Semi-empirical 0.005188679245283019 Sorption 0.056839622641509435 Synthia 0.0011792452830188679 TURBOMOLE 0.0 VAMP 7.075471698113207E-4 Visualization 0.7169811320754716 X-Cell 0.0014150943396226414 ZDOCK 0.029716981132075472

Year

2023 0.0 2024 0.38885708834191945 2025 1.0 2026 0.7574890288112955 2027 0.0019080328181644724

Keywords

target 1.0 potential 0.31292984869325996 docking 0.23601558917927556 analysis 0.22375057313159102 visualization 0.1710224667583677 between 0.14156350298028428 novel 0.09617148097203118 promising 0.08975240715268226 binding 0.08127005960568547 energy 0.07026593305823017 cell 0.06212746446584136 activity 0.05421824850985786 stability 0.04321412196240257 performance 0.03610729023383769 including 0.023154516276937185 effective 0.019486474094452085 development 0.018340210912425492 synthesized 0.018225584594222834 enhanced 0.012723521320495186 mechanism 0.012723521320495186 strong 0.012379642365887207 experimental 0.01192113709307657 interaction 0.009284731774415406 protein 0.005960568546538285 design 0.0
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