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Application

Discovery Studio 1.0 Materials Studio 0.998754566589173 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06550500161342368 Amorphous Cell 0.27847692804130364 Blends 0.0025814778960955146 CASTEP 0.3771108959879531 CDOCKER 0.16876411745724426 CHARMm 0.2618048832956868 COMPASS 0.35667419597719696 COMPASS III 0.08551145530816393 COSMObase 0.0035495321071313327 COSMOconf 0.004302463160159191 COSMOmic 1.0756157900397978E-4 COSMOperm 0.0012907389480477573 COSMOplex 1.0756157900397978E-4 COSMOquick 0.0012907389480477573 COSMOtherm 0.061417661611272455 Cantera 0.0 Catalyst 0.11842529848338174 Classical Simulations 1.0 Conformers 8.604926320318382E-4 Crystallization 0.07357212003872217 DFTB Plus 0.00505539421318705 DMol3 0.17048510272130796 DPD 0.0025814778960955146 Discover 0.003441970528127353 Forcite 0.536839840808863 GULP 0.022587931590835754 Kinetix 3.2268473701193933E-4 LUDI 0.00451758631816715 LibDock 0.07056039582661074 LigandFit 0.005485640529202969 MCSS 7.529310530278584E-4 MODELER 0.1978057437883188 MesoDyn 9.68054211035818E-4 Mesocite 0.0033344089491233733 Mesoscale 0.006346133161234807 Modules 0.0 Morphology 0.017532537377648705 ONETEP 0.0010756157900397977 Polymorph 0.0018285468430676562 QMERA 2.1512315800795956E-4 QSAR 8.604926320318382E-4 Quantum Mechanics 0.5375927718618909 Reflex 0.05356566634398193 Reflex Plus 9.68054211035818E-4 Semi-empirical 0.006776379477250726 Sorption 0.05593202108206948 Synthia 0.0011831773690437776 TURBOMOLE 5.378078950198989E-4 VAMP 0.0012907389480477573 Visualization 0.8142411530601269 X-Cell 0.0012907389480477573 ZDOCK 0.02850381843605464

Year

2022 0.06312925170068028 2023 0.3002267573696145 2024 0.5902947845804989 2025 1.0 2026 0.385578231292517 2027 0.0

Keywords

target 1.0 potential 0.2876386310628778 docking 0.22399923842162883 visualization 0.20238945213955922 analysis 0.19896234946927507 between 0.15312485125422437 novel 0.10414584225807987 energy 0.08691513161026226 binding 0.07577704793183873 cell 0.06468656290161359 promising 0.06340139940025703 activity 0.05478604407634823 stability 0.03831691179970489 interaction 0.03703174829834833 performance 0.031605502403731736 synthesized 0.030843924032557476 experimental 0.02703603217668618 effective 0.02237136465324385 mechanism 0.021990575467656717 development 0.021086201151887286 protein 0.019705840354133943 including 0.01961064305773716 synthesis 0.01308962825455757 design 0.0029035175401018612 chemical 0.0
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