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Application

Discovery Studio 0.898286720390059 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06857718366599524 Amorphous Cell 0.28438015015564916 Blends 0.0026551913568943417 CASTEP 0.4072514191540011 CDOCKER 0.1583043398644937 CHARMm 0.2409815052188244 COMPASS 0.37438198132210215 COMPASS III 0.08047976561069402 COSMObase 0.003296099615455045 COSMOconf 0.003937007874015748 COSMOmic 1.8311664530305805E-4 COSMOperm 0.0014649331624244644 COSMOplex 2.7467496795458707E-4 COSMOquick 0.0014649331624244644 COSMOtherm 0.0639992675334188 Cantera 0.0 Catalyst 0.1148141366050174 Classical Simulations 1.0 Conformers 7.324665812122322E-4 Crystallization 0.07782457425379967 DFTB Plus 0.0058597326496978575 DMol3 0.18439846182017947 DPD 0.0030214246475004577 Discover 0.00375389122871269 Forcite 0.5468778611975829 GULP 0.02536165537447354 Kinetix 2.7467496795458707E-4 LUDI 0.003937007874015748 LibDock 0.06583043398644937 LigandFit 0.005401941036440212 MCSS 3.662332906061161E-4 MODELER 0.17624977110419338 MesoDyn 0.0011902581944698773 Mesocite 0.004120124519318806 Mesoscale 0.00750778245742538 Modules 0.0 Morphology 0.018403222852957334 ONETEP 0.0010986998718183483 Polymorph 0.0020142830983336385 QMERA 1.8311664530305805E-4 QSAR 0.0012818165171214063 Quantum Mechanics 0.5800219739974364 Reflex 0.05694927668925105 Reflex Plus 8.240249038637612E-4 Semi-empirical 0.007782457425379967 Sorption 0.056583043398644936 Synthia 0.0013733748397729353 TURBOMOLE 5.493499359091741E-4 VAMP 0.0015564914850759934 Visualization 0.7858450833180736 X-Cell 0.0012818165171214063 ZDOCK 0.027375938472807178

Year

2021 0.002371124967067709 2022 0.1340124703609379 2023 0.33345042592429963 2024 0.802933169403706 2025 1.0 2026 0.373320453148327 2027 0.0

Keywords

target 1.0 potential 0.2698361187733247 docking 0.20059224403699497 visualization 0.18842284601655038 analysis 0.18505597923089404 between 0.15556547136135 novel 0.09666558494239819 energy 0.09248742495537887 cell 0.06392990426740223 binding 0.0623073178646763 promising 0.05415382119097842 activity 0.0458786305370761 stability 0.0355346422196982 interaction 0.03289793931526854 experimental 0.031234788252474444 performance 0.030788576991724808 synthesized 0.027949050786954404 effective 0.019754989453188383 mechanism 0.019146519552166154 development 0.015779652766509816 including 0.01330520850235275 synthesis 0.009208177835469738 protein 0.008356319974038618 design 2.0282330034074314E-4 chemical 0.0
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