High‐throughput quantum‐mechanics/molecular‐mechanics (ONIOM) macromolecular crystallographic refinement with PHENIX/DivCon: the impact of mixed Hamiltonian methods on ligand and protein structure
Borbulevych, Oleg, Martin, Roger I., Westerhoff, Lance M.
Published in Acta crystallographica. Section D, Biological crystallography. (01.11.2018)
Published in Acta crystallographica. Section D, Biological crystallography. (01.11.2018)
Get full text
Journal Article
MovableType Software for Fast Free Energy-Based Virtual Screening: Protocol Development, Deployment, Validation, and Assessment
Zheng, Zheng, Borbulevych, Oleg Y, Liu, Hao, Deng, Jianpeng, Martin, Roger I, Westerhoff, Lance M
Published in Journal of chemical information and modeling (23.11.2020)
Published in Journal of chemical information and modeling (23.11.2020)
Get full text
Journal Article
XModeScore: a novel method for accurate protonation/tautomer‐state determination using quantum‐mechanically driven macromolecular X‐ray crystallographic refinement
Borbulevych, Oleg, Martin, Roger I., Tickle, Ian J., Westerhoff, Lance M.
Published in Acta crystallographica. Section D, Structural biology (01.04.2016)
Published in Acta crystallographica. Section D, Structural biology (01.04.2016)
Get full text
Journal Article
Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics program DivCon into the PHENIX refinement package
Borbulevych, Oleg Y., Plumley, Joshua A., Martin, Roger I., Merz Jr, Kenneth M., Westerhoff, Lance M.
Published in Acta crystallographica. Section D, Biological crystallography. (01.05.2014)
Published in Acta crystallographica. Section D, Biological crystallography. (01.05.2014)
Get full text
Journal Article
Formation and properties of a synthetic bone composite: hydroxyapatite-collagen
TenHuisen, K S, Martin, R I, Klimkiewicz, M, Brown, P W
Published in Journal of biomedical materials research (01.07.1995)
Published in Journal of biomedical materials research (01.07.1995)
Get more information
Journal Article
Fast, accurate X-ray density-driven ligand docking on the free energy surface using the MovableType method coupled with Phenix / DivCon
Westerhoff, Lance M., Borbulevych, Oleg, Zheng, Zheng, Bansal, Nupur, Martin, Roger I., Merz, Kenneth M.
Published in Acta crystallographica. Section A, Foundations and advances (20.07.2018)
Published in Acta crystallographica. Section A, Foundations and advances (20.07.2018)
Get full text
Journal Article
QUANTITATIVE PHASE ANALYSIS OF TEXTURED POLYCRYSTALLINE MATERIALS
KURTZ, DAVID, S, MORAN, PAUL, R, MARTIN, ROGER, I, KOZACZEK, KRZYSZTOF, J
Year of Publication 21.05.2008
Get full text
Year of Publication 21.05.2008
Patent
QUANTITATIVE PHASE ANALYSIS OF TEXTURED POLYCRYSTALLINE MATERIALS
KURTZ, DAVID, S, MORAN, PAUL, R, MARTIN, ROGER, I, KOZACZEK, KRZYSZTOF, J
Year of Publication 08.08.2007
Get full text
Year of Publication 08.08.2007
Patent
Method and apparatus for quantitative phase analysis of textured polycrystalline materials
KURTZ, DAVID S, MARTIN, ROGER I, MORAN, PAUL R, KOZACZEK, KRZYSZTOF J
Year of Publication 11.10.2005
Get full text
Year of Publication 11.10.2005
Patent
QUANTITATIVE PHASE ANALYSIS OF TEXTURED POLYCRYSTALLINE MATERIALS
KURTZ, DAVID, S, MORAN, PAUL, R, MARTIN, ROGER, I, KOZACZEK, KRZYSZTOF, J
Year of Publication 15.06.2005
Get full text
Year of Publication 15.06.2005
Patent
Method and apparatus for thin film thickness mapping
KURTZ, DAVID S, MARTIN, ROGER I, MORAN, PAUL R, KOZACZEK, KRZYSZTOF J, DEHAVEN, PATRICK W.
Year of Publication 11.03.2005
Get full text
Year of Publication 11.03.2005
Patent
QUANTITATIVE PHASE ANALYSIS OF TEXTURED POLYCRYSTALLINE MATERIALS
ROGER, I. MARTIN, DAVID, S. KURTZ, PAUL, R. MORAN, KRZYSZTOF, J. KOZACZEK
Year of Publication 16.02.2004
Get full text
Year of Publication 16.02.2004
Patent
QUANTITATIVE PHASE ANALYSIS OF TEXTURED POLYCRYSTALLINE MATERIALS
KURTZ, DAVID, S, MORAN, PAUL, R, MARTIN, ROGER, I, KOZACZEK, KRZYSZTOF, J
Year of Publication 05.02.2004
Get full text
Year of Publication 05.02.2004
Patent