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Application

Discovery Studio 0.8925159782832796 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06849569005468532 Amorphous Cell 0.28510519974047643 Blends 0.0025025488923903975 CASTEP 0.40392992863101307 CDOCKER 0.1577532672166095 CHARMm 0.23941051070534805 COMPASS 0.37519695986653073 COMPASS III 0.0808230605246084 COSMObase 0.00333673185652053 COSMOconf 0.003892853832607285 COSMOmic 1.8537399202891834E-4 COSMOperm 0.0014829919362313467 COSMOplex 2.7806098804337753E-4 COSMOquick 0.0014829919362313467 COSMOtherm 0.06423208823802021 Cantera 0.0 Catalyst 0.11354157011771249 Classical Simulations 1.0 Conformers 7.414959681156733E-4 Crystallization 0.07776438965613125 DFTB Plus 0.005839280748910928 DMol3 0.1829641301325424 DPD 0.0030586708684771525 Discover 0.003614792844563908 Forcite 0.5484289554175549 GULP 0.025396236907961812 Kinetix 2.7806098804337753E-4 LUDI 0.003892853832607285 LibDock 0.06478821021410697 LigandFit 0.005097784780795254 MCSS 3.707479840578367E-4 MODELER 0.1768467883955881 MesoDyn 0.0012049309481879692 Mesocite 0.004170914820650662 Mesoscale 0.007600333673185652 Modules 0.0 Morphology 0.018630086198906295 ONETEP 0.0010195569561590508 Polymorph 0.0020391139123181017 QMERA 1.8537399202891834E-4 QSAR 0.0012049309481879692 Quantum Mechanics 0.5754008712577625 Reflex 0.056631754564834554 Reflex Plus 8.341829641301325E-4 Semi-empirical 0.00778570766521457 Sorption 0.05700250254889239 Synthia 0.0013903049402168876 TURBOMOLE 5.561219760867551E-4 VAMP 0.001575678932245806 Visualization 0.7774585225692835 X-Cell 0.0012976179442024283 ZDOCK 0.026971915840207618

Year

2021 0.0017570060616709127 2022 0.13142405341298427 2023 0.31169287534041995 2024 0.7837125538083106 2025 1.0 2026 0.3734516384081525 2027 0.0

Keywords

target 1.0 potential 0.27141620997980964 docking 0.20058510857472495 visualization 0.18731715357039844 analysis 0.1866578763031027 between 0.1564959413243232 novel 0.09773785487659153 energy 0.09427664922328897 cell 0.06609254604639664 binding 0.06320820800197784 promising 0.05640941118299064 activity 0.04668507149037867 stability 0.037620009065062424 interaction 0.033005068193992335 performance 0.03296386336478635 experimental 0.032469405414314555 synthesized 0.029173019077835923 effective 0.021179282211875233 mechanism 0.020808438749021385 development 0.016770365486835057 including 0.015204581977007706 synthesis 0.009477110717376077 protein 0.008941447937698297 design 0.0011949400469735054 chemical 0.0
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