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Application

Discovery Studio 0.7925980212532063 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.11178045515394913 Amorphous Cell 0.1398929049531459 Antibody 0.0 Blends 0.0030120481927710845 CASTEP 0.6716867469879518 CDOCKER 0.2617135207496653 CHARMm 0.29886211512717537 COMPASS 0.33634538152610444 COMPASS III 0.020080321285140562 COSMOconf 6.693440428380187E-4 COSMOmic 3.3467202141900936E-4 COSMOperm 0.0 COSMOquick 0.0 COSMOtherm 0.0391566265060241 Catalyst 0.30120481927710846 Classical Simulations 1.0 Conformers 0.0016733601070950468 Crystallization 0.17637215528781794 DFTB Plus 0.007362784471218206 DMol3 0.3473895582329317 DPD 0.008701472556894244 Discover 0.035140562248995984 Equilibria 0.0 Forcite 0.40562248995983935 GULP 0.03714859437751004 LUDI 0.008366800535475234 LibDock 0.060240963855421686 LigandFit 0.030455153949129853 MCSS 0.0023427041499330657 MODELER 0.16331994645247658 MesoDyn 0.002677376171352075 Mesocite 0.0033467202141900937 Mesoscale 0.013721552878179385 Morphology 0.02108433734939759 ONETEP 3.3467202141900936E-4 Polymorph 0.006024096385542169 QMERA 0.001004016064257028 QSAR 0.0033467202141900937 Quantum Mechanics 1.0 Reflex 0.142570281124498 Reflex Plus 0.009705488621151271 Semi-empirical 0.01706827309236948 Sorption 0.05287817938420348 Synthia 0.0023427041499330657 TURBOMOLE 6.693440428380187E-4 VAMP 0.008032128514056224 Visualization 0.8333333333333334 X-Cell 0.005689424364123159 ZDOCK 0.006693440428380187

Year

2001 9.132420091324201E-4 2002 0.0036529680365296802 2003 0.0036529680365296802 2004 0.012785388127853882 2005 0.0136986301369863 2006 0.0273972602739726 2007 0.031050228310502283 2008 0.052968036529680365 2009 0.08310502283105023 2010 0.09954337899543379 2011 0.13881278538812786 2012 0.1872146118721461 2013 0.27671232876712326 2014 0.354337899543379 2015 0.4520547945205479 2016 0.4337899543378995 2017 0.5378995433789955 2018 0.5853881278538813 2019 0.6337899543378995 2020 0.736986301369863 2021 0.6420091324200913 2022 0.8922374429223744 2023 1.0 2024 0.9442922374429223 2025 0.7643835616438356 2026 0.3041095890410959 2027 0.0

Keywords

synthesized 1.0 target 0.9670744255173203 synthesis 0.3011318166228421 novel 0.21435920887161314 docking 0.18795015433863038 compound 0.14816508517205898 potential 0.14679318623528068 visualization 0.12712930147479135 between 0.09591860066308448 activity 0.09123127929575854 analysis 0.08288556076369041 designed 0.06893792157311078 design 0.057734080256087804 experimental 0.052475134331770895 binding 0.03944209443237681 promising 0.037041271293014745 potent 0.034526123242254486 inhibition 0.02457985595061164 energy 0.02240768263404596 vitro 0.01932091002629473 x-ray 0.014519263747570595 well 0.013947639190579628 chemical 0.013033039899394078 cell 0.010403566937235624 active 0.0
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