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Application

Discovery Studio 0.8828607702073635 Materials Studio 1.0 Solvation Chemistry 0.0

Modules

Adsorption Locator 0.06740556435195658 Amorphous Cell 0.28884867676996157 Blends 0.002261931689662972 CASTEP 0.39606423885998643 CDOCKER 0.15652567292467767 CHARMm 0.23953856593530876 COMPASS 0.37333182537887355 COMPASS III 0.08561411445374349 COSMObase 0.0033928975344944584 COSMOconf 0.004523863379325944 COSMOmic 1.1309658448314861E-4 COSMOperm 0.001130965844831486 COSMOplex 3.3928975344944584E-4 COSMOquick 0.0012440624293146346 COSMOtherm 0.06593530875367563 Cantera 0.0 Catalyst 0.106536982583126 Classical Simulations 1.0 Conformers 5.65482922415743E-4 Crystallization 0.07622709794164216 DFTB Plus 0.006107215562090025 DMol3 0.17722234788509386 DPD 0.003166704365528161 Discover 0.003958380456910202 Forcite 0.5503279800950012 GULP 0.022845510065596018 Kinetix 2.2619316896629722E-4 LUDI 0.004184573625876499 LibDock 0.064691246324361 LigandFit 0.005202442886224836 MCSS 4.5238633793259444E-4 MODELER 0.1828771771092513 MesoDyn 0.001130965844831486 Mesocite 0.0038452838724270526 Mesoscale 0.007238181406921511 Modules 0.0 Morphology 0.017982356932820628 ONETEP 0.0010178692603483375 Polymorph 0.0021488351051798236 QMERA 2.2619316896629722E-4 QSAR 0.0012440624293146346 Quantum Mechanics 0.5625424112191811 Reflex 0.055417326396742815 Reflex Plus 6.785795068988917E-4 Semi-empirical 0.007916760913820403 Sorption 0.05620900248812486 Synthia 0.0012440624293146346 TURBOMOLE 4.5238633793259444E-4 VAMP 0.0013571590137977834 Visualization 0.7523184799819046 X-Cell 0.0012440624293146346 ZDOCK 0.027821759782854557

Year

2022 0.1346882898062342 2023 0.22756950294860995 2024 0.7174599831508003 2025 1.0 2026 0.44745155855096885 2027 0.0

Keywords

target 1.0 potential 0.2724306688417618 docking 0.19795065252854813 analysis 0.1900489396411093 visualization 0.1802100326264274 between 0.15813621533442088 novel 0.09584013050570962 energy 0.09507544861337683 cell 0.06851549755301795 binding 0.06402936378466557 promising 0.06122553017944535 activity 0.04720636215334421 stability 0.039559543230016314 performance 0.03731647634584013 experimental 0.031708809135399675 interaction 0.029567699836867863 synthesized 0.027018760195758565 effective 0.021309135399673735 mechanism 0.020952283849918433 including 0.017383768352365415 development 0.0170778955954323 synthesis 0.008156606851549755 protein 0.006270391517128875 design 0.004027324632952692 chemical 0.0
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