Organosolv-Water Cosolvent Phase Separation on Cellulose and its Influence on the Physical Deconstruction of Cellulose: A Molecular Dynamics Analysis

CHARMM-GUI Input Generator for NAMD, Gromacs, Amber, Openmm, and CHARMM/OpenMM Simulations using the CHARMM36 Additive Force Field

(2016) Jumin Lee et al.   BIOPHYSICAL JOURNAL

Organosolv pretreatment of sorghum bagasse using a low concentration of hydrophobic solvents such as 1-butanol or 1-pentanol

(2016) Hiroshi Teramura et al.   Biotechnology for Biofuels

An engineered solvent system for sugar production from lignocellulosic biomass using biomass derived γ-valerolactone

(2016) Ali Hussain Motagamwala et al.   GREEN CHEMISTRY

A mild biomass pretreatment using γ-valerolactone for concentrated sugar production

(2016) Li Shuai et al.   GREEN CHEMISTRY

CELF pretreatment of corn stover boosts ethanol titers and yields from high solids SSF with low enzyme loadings

(2016) Thanh Yen Nguyen et al.   GREEN CHEMISTRY

Vapor–Liquid Equilibria, Excess Enthalpy, and Density of Aqueous γ-Valerolactone Solutions.

(2016) Anna Zaitseva et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Molecular Driving Forces behind the Tetrahydrofuran–Water Miscibility Gap

(2016) Micholas Dean Smith et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Local Phase Separation of Co-solvents Enhances Pretreatment of Biomass for Bioenergy Applications

(2016) Barmak Mostofian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enhanced sampling simulation analysis of the structure of lignin in the THF–water miscibility gap

(2016) Micholas Dean Smith et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synergetic Effects of Alcohol/Water Mixing on the Catalytic Reductive Fractionation of Poplar Wood

(2016) Tom Renders et al.   ACS Sustainable Chemistry & Engineering

Current Pretreatment Technologies for the Development of Cellulosic Ethanol and Biorefineries

(2015) Marcos Henrique Luciano Silveira et al.   ChemSusChem

Co-solvent Pretreatment Reduces Costly Enzyme Requirements for High Sugar and Ethanol Yields from Lignocellulosic Biomass

(2015) Thanh Yen Nguyen et al.   ChemSusChem

Coupling metal halides with a co-solvent to produce furfural and 5-HMF at high yields directly from lignocellulosic biomass as an integrated biofuels strategy

(2014) Charles M. Cai et al.   GREEN CHEMISTRY

Nonenzymatic Sugar Production from Biomass Using Biomass-Derived  -Valerolactone

(2014) J. S. Luterbacher et al.   SCIENCE

Common processes drive the thermochemical pretreatment of lignocellulosic biomass

(2013) Paul Langan et al.   GREEN CHEMISTRY

CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data

(2013) Jing Huang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Fractionation of wheat straw by prehydrolysis, organosolv delignification and enzymatic hydrolysis for production of sugars and lignin

(2012) W.J.J. Huijgen et al.   BIORESOURCE TECHNOLOGY

Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges

(2012) K. Vanommeslaeghe et al.   Journal of Chemical Information and Modeling

Extension of the CHARMM general force field to sulfonyl-containing compounds and its utility in biomolecular simulations

(2012) Wenbo Yu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular-Level Origins of Biomass Recalcitrance: Decrystallization Free Energies for Four Common Cellulose Polymorphs

(2011) Gregg T. Beckham et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Organosolvent pretreatment and enzymatic hydrolysis of rice straw for the production of bioethanol

(2011) Raveendran Sindhu et al.   WORLD JOURNAL OF MICROBIOLOGY & BIOTECHNOLOGY

Effects of organosolv pretreatment and enzymatic hydrolysis on cellulose structure and crystallinity in Loblolly pine

(2010) Poulomi Sannigrahi et al.   CARBOHYDRATE RESEARCH

g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

(2010) Jochen S. Hub et al.   Journal of Chemical Theory and Computation

Organosolv pretreatment of lignocellulosic biomass for enzymatic hydrolysis

(2009) Xuebing Zhao et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

Force Pulling of Single Cellulose Chains at the Crystalline Cellulose−Liquid Interface: A Molecular Dynamics Study

(2009) Malin Bergenstråhle et al.   LANGMUIR

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation