Computational methods in drug discovery

por Leelananda, Sumudu P, Lindert, Steffen
Publicado 2016

Computational Studies of Cardiac and Skeletal Troponin

por Bowman, Jacob D., Lindert, Steffen
Publicado 2019

Accurate protein structure prediction with hydroxyl radical protein footprinting data

por Biehn, Sarah E., Lindert, Steffen
Publicado 2021

Improved cryoEM-Guided Iterative Molecular Dynamics–Rosetta Protein Structure Refinement Protocol for High Precision Protein Structure Prediction

por Lindert, Steffen, McCammon, J. Andrew
Publicado 2015

Protein complex prediction using Rosetta, AlphaFold, and mass spectrometry covalent labeling

por Drake, Zachary C., Seffernick, Justin T., Lindert, Steffen
Publicado 2022

Iterative Molecular Dynamics—Rosetta Protein Structure Refinement Protocol to Improve Model Quality

por Lindert, Steffen, Meiler, Jens, McCammon, J. Andrew
Publicado 2013

Applications of machine learning in computer-aided drug discovery

por Turzo, SM Bargeen Alam, Hantz, Eric R., Lindert, Steffen
Publicado 2022

LigMerge: A Fast Algorithm to Generate Models of Novel Potential Ligands from Sets of Known Binders

por Lindert, Steffen, Durrant, Jacob D, McCammon, J Andrew
Publicado 2012

Molecular Basis of Calcium-Sensitizing and Desensitizing Mutations of the Human Cardiac Troponin C Regulatory Domain: A Multi-Scale Simulation Study

por Kekenes-Huskey, Peter Michael, Lindert, Steffen, McCammon, James Andrew
Publicado 2012

Predicting Protein Complex Structure from Surface-Induced Dissociation Mass Spectrometry Data

por Seffernick, Justin T., Harvey, Sophie R., Wysocki, Vicki H., Lindert, Steffen
Publicado 2019

Dipeptide Aggregation in Aqueous Solution from Fixed Point-Charge Force Fields

por Götz, Andreas W., Bucher, Denis, Lindert, Steffen, McCammon, J. Andrew
Publicado 2014

Accelerated Molecular Dynamics Simulations with the AMOEBA Polarizable Force Field on Graphics Processing Units

por Lindert, Steffen, Bucher, Denis, Eastman, Peter, Pande, Vijay, McCammon, J. Andrew
Publicado 2013

Dynamics and Calcium Association to the N-Terminal Regulatory Domain of Human Cardiac Troponin C: A Multiscale Computational Study

por Lindert, Steffen, Kekenes-Huskey, Peter M., Huber, Gary, Pierce, Levi, McCammon, J. Andrew
Publicado 2012

Insight into the Mechanisms of Adenovirus Capsid Disassembly from Studies of Defensin Neutralization

por Smith, Jason G., Silvestry, Mariena, Lindert, Steffen, Lu, Wuyuan, Nemerow, Glen R., Stewart, Phoebe L.
Publicado 2010

Farnesyl Diphosphate Synthase Inhibitors from In Silico Screening

por Lindert, Steffen, Zhu, Wei, Liu, Yi-Liang, Pang, Ran, Oldfield, Eric, McCammon, J Andrew
Publicado 2013

Insights into the catalytic mechanism of a bacterial deglycase essential for utilization of fructose‐lysine

por Kovvali, Sravya, Gao, Yuan, Cool, Austin, Lindert, Steffen, Wysocki, Vicki H., Bell, Charles E., Gopalan, Venkat
Publicado 2023

Targeting Troponin C with Small Molecules Containing Diphenyl Moieties: Calcium Sensitivity Effects on Striated Muscle and Structure Activity Relationship

por Hantz, Eric R., Tikunova, Svetlana B., Belevych, Natalya, Davis, Jonathan P., Reiser, Peter J., Lindert, Steffen
Publicado 2023

Protein shape sampled by ion mobility mass spectrometry consistently improves protein structure prediction

por Turzo, SM Bargeen Alam, Seffernick, Justin T., Rolland, Amber D., Donor, Micah T., Heinze, Sten, Prell, James S., Wysocki, Vicki H., Lindert, Steffen
Publicado 2022

Binding of calcium and magnesium to human cardiac troponin C

por Rayani, Kaveh, Seffernick, Justin, Li, Alison Yueh, Davis, Jonathan P., Spuches, Anne Marie, Van Petegem, Filip, Solaro, R. John, Lindert, Steffen, Tibbits, Glen F.
Publicado 2021

Validated determination of NRG1 Ig-like domain structure by mass spectrometry coupled with computational modeling

por Khaje, Niloofar Abolhasani, Eletsky, Alexander, Biehn, Sarah E., Mobley, Charles K., Rogals, Monique J., Kim, Yoonkyoo, Mishra, Sushil K., Doerksen, Robert J., Lindert, Steffen, Prestegard, James H., Sharp, Joshua S.
Publicado 2022