Hydrogen bonds in proteins: role and strength RE Hubbard, MK Haider Encyclopedia of life sciences 1, 1-6, 2010 | 437 | 2010 |
Encyclopedia of life sciences RE Hubbard, MK Haider John Wiley & Sons, Ltd, 2010 | 60 | 2010 |
Solvation structure and thermodynamic mapping (SSTMap): an open-source, flexible package for the analysis of water in molecular dynamics trajectories K Haider, A Cruz, S Ramsey, MK Gilson, T Kurtzman Journal of chemical theory and computation 14 (1), 418-425, 2018 | 55 | 2018 |
Predicting fragment binding poses using a combined MCSS MM-GBSA approach MK Haider, HO Bertrand, RE Hubbard Journal of chemical information and modeling 51 (5), 1092-1105, 2011 | 55 | 2011 |
Network analysis of a proposed exit pathway for protons to the P-side of cytochrome c oxidase X Cai, K Haider, J Lu, S Radic, CY Son, Q Cui, MR Gunner Biochimica et Biophysica Acta (BBA)-Bioenergetics 1859 (10), 997-1005, 2018 | 50 | 2018 |
Combining solvent thermodynamic profiles with functionality maps of the Hsp90 binding site to predict the displacement of water molecules K Haider, DJ Huggins Journal of chemical information and modeling 53 (10), 2571-2586, 2013 | 46 | 2013 |
Enthalpic breakdown of water structure on protein active-site surfaces K Haider, L Wickstrom, S Ramsey, MK Gilson, T Kurtzman The Journal of Physical Chemistry B 120 (34), 8743-8756, 2016 | 43 | 2016 |
eLS RE Hubbard, MK Haider John Wiley & Sons, Ltd,, 2001 | 29 | 2001 |
A combined treatment of hydration and dynamical effects for the modeling of host–guest binding thermodynamics: the SAMPL5 blinded challenge RK Pal, K Haider, D Kaur, W Flynn, J Xia, RM Levy, T Taran, L Wickstrom, ... Journal of computer-aided molecular design 31, 29-44, 2017 | 23 | 2017 |
Characterizing the water wire in the Gramicidin channel found by Monte Carlo sampling using continuum electrostatics and in molecular dynamics trajectories with conventional or … Y Zhang, K Haider, D Kaur, VA Ngo, X Cai, J Mao, U Khaniya, X Zhu, ... Journal of Computational Biophysics and Chemistry 20 (02), 111-130, 2021 | 17 | 2021 |
Hydrogen bonds in proteins: Role and Strength. eLS 2010 RE Hubbard, MK Haider Google Scholar, 2010 | 14 | 2010 |
Hydrogen Bonds in Proteins: Role and Strength; eLS John Wiley & Sons RE Hubbard, MK Haider Ltd.: Hoboken, NJ, USA, 2010 | 7 | 2010 |
Structural modeling of HCV NS3/4A serine protease drug-resistance mutations using end-point continuum solvation and side-chain flexibility calculations HA Hotiana, MK Haider Journal of chemical information and modeling 53 (2), 435-451, 2013 | 4 | 2013 |
Computational analyses of protein-ligand interactions K Haider University of York, 2010 | 4 | 2010 |
Erratum to: A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge RK Pal, K Haider, D Kaur, W Flynn, J Xia, RM Levy, T Taran, L Wickstrom, ... Journal of computer-aided molecular design 31 (1), 45, 2017 | 1 | 2017 |
Machine Learning ADME Models in Practice: Four Guidelines from a Successful Lead Optimization Case Study AS Rich, YH Chan, B Birnbaum, K Haider, J Haimson, M Hale, Y Han, ... ACS Medicinal Chemistry Letters, 2024 | | 2024 |
Solvation structure and thermodynamic mapping (SSTMap): Open-source software package for the analysis of water in molecular dynamics trajectories K Haider, A Cruz, S Ramsey, M Gilson, T Kurtzman ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
SSTMap: A computational tool creating solvation thermodynamic and structural maps from molecular dynamics trajectories S Ramsey, K Haider, A Cruz, M Gilson, T Kurtzman ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge (vol 31, pg 29, 2017) RK Pal, K Haider, D Kaur, W Flynn, J Xia, RM Levy, T Taran, L Wickstrom, ... JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 31 (1), 45-45, 2017 | | 2017 |
Making a splash in implicit solvent: Application of inhomogeneous solvation theory and continuum solvation to host-guest binding affinity predictions L Wickstrom, R Pal, K Haider, J Xia, W Flynn, T Kurtzman, R Levy, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |