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ACS Biomaterials Science & Engineering|October 28, 2025
Optimizing Titanium Nanotube (TNT) Growth on Freeform Screw Profiles via Multi-Cathode-Anode (CA) Configuration: Simulation and Experimental InsightsH Jadhav, Y Patil, B Ansari, et al.Current Opinion in Structural Biology|February 26, 2011
Alchemical free energy methods for drug discovery: progress and challengesJohn D Chodera, David L Mobley, Michael R Shirts, et al.Cureus|September 16, 2024
From Decay to Delight: A Case Report on Esthetic Rehabilitation in Early Childhood CariesKhushi S Zanwar, Monika Khubchandani, Manoj Chandak, et al.The Journal of Chemical Physics|July 5, 2011
Dynamical reweighting: improved estimates of dynamical properties from simulations at multiple temperaturesJohn D Chodera, William C Swope, Frank Noé, et al.Nature Chemistry|April 23, 2016
Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov modelsSheel C Dodani, Gert Kiss, Jackson K B Cahn, et al.Journal of the American Chemical Society|July 3, 2008
Structural insight into RNA hairpin folding intermediatesGregory R Bowman, Xuhui Huang, Yuan Yao, et al.Journal of Chemical Theory and Computation|November 30, 2011
MSMBuilder2: Modeling Conformational Dynamics at the Picosecond to Millisecond ScaleKyle A Beauchamp, Gregory R Bowman, Thomas J Lane, et al.The Journal of Chemical Physics|July 5, 2011
Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamicsJan-Hendrik Prinz, John D Chodera, Vijay S Pande, et al.Proteins|August 29, 2009
Assessment of the protein-structure refinement category in CASP8Justin L MacCallum, Lan Hua, Michael J Schnieders, et al.Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing|November 13, 2009
Constructing multi-resolution Markov State Models (MSMs) to elucidate RNA hairpin folding mechanismsXuhui Huang, Yuan Yao, Gregory R Bowman, et al.Pageof 39