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Application

Discovery Studio 1.0 Materials Studio 0.951418439716312 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.0698159509202454 Amorphous Cell 0.2701840490797546 Antibody 2.45398773006135E-4 Blends 0.003312883435582822 CASTEP 0.4044171779141104 CDOCKER 0.18723926380368097 CHARMm 0.26883435582822085 COMPASS 0.3720245398773006 COMPASS III 0.06503067484662577 COSMObase 0.002331288343558282 COSMOconf 0.00294478527607362 COSMOmic 2.45398773006135E-4 COSMOperm 9.8159509202454E-4 COSMOplex 1.226993865030675E-4 COSMOquick 0.0018404907975460123 COSMOtherm 0.06061349693251534 Cantera 0.0 Catalyst 0.12159509202453987 Classical Simulations 1.0 Conformers 0.0015950920245398773 Crystallization 0.0750920245398773 DFTB Plus 0.0041717791411042945 DMol3 0.18711656441717792 DPD 0.003067484662576687 Discover 0.005521472392638037 Forcite 0.5268711656441718 GULP 0.02625766871165644 Kinetix 1.226993865030675E-4 LUDI 0.006503067484662577 LibDock 0.07239263803680981 LigandFit 0.010920245398773006 MCSS 0.00196319018404908 MODELER 0.21312883435582822 MesoDyn 0.00147239263803681 Mesocite 0.0049079754601227 Mesoscale 0.008220858895705521 Morphology 0.016932515337423314 ONETEP 0.0015950920245398773 Polymorph 0.0013496932515337423 QMERA 1.226993865030675E-4 QSAR 0.001226993865030675 Quantum Mechanics 0.5796319018404908 Reflex 0.05644171779141104 Reflex Plus 3.680981595092025E-4 Semi-empirical 0.006134969325153374 Sorption 0.051656441717791414 Synthia 4.9079754601227E-4 TURBOMOLE 6.134969325153375E-4 VAMP 0.0015950920245398773 Visualization 0.8649079754601227 X-Cell 0.001226993865030675 ZDOCK 0.03177914110429448

Year

2019 0.04862782859894078 2020 0.1929064355641149 2021 0.24554646124217622 2022 0.27844647729096456 2023 0.6395442144118119 2024 0.9438292408923127 2025 1.0 2026 0.41502166586422723 2027 0.0

Keywords

target 1.0 potential 0.24580199855774185 docking 0.2084578139486968 visualization 0.20351292881425775 analysis 0.1651385598022046 between 0.14870711857422478 novel 0.09879468424848048 energy 0.07273101885237457 binding 0.06943442876274854 cell 0.055011847120634595 activity 0.0520758215720614 interaction 0.03821984135160194 promising 0.03652003708663851 synthesized 0.02214896466467498 experimental 0.020861234160914805 protein 0.019779540537756258 mechanism 0.01874935613474812 stability 0.018182754713093642 effective 0.011795611414443186 synthesis 0.010250334809930978 development 0.009889770268878129 performance 0.005562995776243948 design 0.0015967858246626145 including 4.1207376120325537E-4 chemical 0.0
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