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Application

Discovery Studio 1.0 Materials Studio 0.9278221208665907 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0644915383442598 Amorphous Cell 0.27275499313919804 Blends 0.0019820094526604667 CASTEP 0.3538649184326879 CDOCKER 0.17533160542765666 CHARMm 0.28296996493367893 COMPASS 0.34166793718554656 COMPASS III 0.08675102912029273 COSMObase 0.003964018905320933 COSMOconf 0.004573867967678 COSMOmic 0.0 COSMOperm 9.147735935355999E-4 COSMOplex 1.5246226558926666E-4 COSMOquick 0.0015246226558926666 COSMOtherm 0.061137368501295926 Cantera 0.0 Catalyst 0.11449916145753926 Classical Simulations 1.0 Conformers 6.098490623570666E-4 Crystallization 0.07104741576459826 DFTB Plus 0.004421405702088733 DMol3 0.15947552980637292 DPD 0.0025918585150175332 Discover 0.0038115566397316663 Forcite 0.516847080347614 GULP 0.020582405854550997 Kinetix 0.0 LUDI 0.0051837170300350665 LibDock 0.07287696295166946 LigandFit 0.0051837170300350665 MCSS 7.623113279463333E-4 MODELER 0.22396706815063272 MesoDyn 7.623113279463333E-4 Mesocite 0.0036590943741423997 Mesoscale 0.0064034151547491995 Morphology 0.016618386949230065 ONETEP 0.0010672358591248667 Polymorph 0.0018295471870711998 QMERA 1.5246226558926666E-4 QSAR 9.147735935355999E-4 Quantum Mechanics 0.5041927123037049 Reflex 0.05183717030035066 Reflex Plus 6.098490623570666E-4 Semi-empirical 0.006098490623570666 Sorption 0.0535142552218326 Synthia 6.098490623570666E-4 TURBOMOLE 4.5738679676779996E-4 VAMP 0.0012196981247141333 Visualization 0.8120140265284342 X-Cell 0.0015246226558926666 ZDOCK 0.029272754993139197

Year

2022 0.022071957131921408 2023 0.25491196733860677 2024 0.5119928553202348 2025 1.0 2026 0.5215616228629752 2027 0.0

Keywords

target 1.0 potential 0.3035333011915421 docking 0.2407879330532406 analysis 0.2102073145533439 visualization 0.20318203733039467 between 0.15028583235760037 novel 0.10358840140505544 binding 0.0834079482057993 energy 0.07824230318892486 promising 0.07197465390178387 cell 0.061574488601143326 activity 0.058268475790343686 stability 0.04070528273297059 interaction 0.029960741097871755 synthesized 0.027825607824230318 performance 0.02665472828707211 including 0.023899717611405743 protein 0.023761967077622424 effective 0.02100695640195606 experimental 0.02080033060128108 development 0.020111577932364486 mechanism 0.018596322060747985 synthesis 0.012741924374956953 design 0.00433914181417453 strong 0.0
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